1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine

C52H120N16 — CID 160776536

IUPAC1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine
SMILESCC1CCCCN1.CC1CCCNC1.CC1CCNCC1.CC1NCCCN1.CN1CCCCC1.CN1CCCCN1.CN1CCCN1.CN1CCCNC1.CN1CCNC1.CN1CCNCC1
InChIInChI=1S/4C6H13N.4C5H12N2.2C4H10N2/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-7-4-2-6-3-5-7;1-7-4-2-3-6-5-7;1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5;1-6-3-2-5-4-6;1-6-4-2-3-5-6/h2*6-7H,2-5H2,1H3;2-6H2,1H3;6-7H,2-5H2,1H3;3*6H,2-5H2,1H3;5-7H,2-4H2,1H3;2*5H,2-4H2,1H3
InChIKeySAABXPVPRBVBJN-UHFFFAOYSA-N
MW969.64 g/mol
LogP3.09
Rot. Bonds

About 1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine

1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine (PubChem CID 160776536) has the molecular formula C52H120N16 and a molecular weight of 969.64 g/mol. Its IUPAC name is 1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine.

Molecular Properties

Compound Name1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine
PubChem CID160776536
Molecular FormulaC52H120N16
Molecular Weight969.64 g/mol
Exact Mass968.99
IUPAC Name1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine
SMILESCC1CCCCN1.CC1CCCNC1.CC1CCNCC1.CC1NCCCN1.CN1CCCCC1.CN1CCCCN1.CN1CCCN1.CN1CCCNC1.CN1CCNC1.CN1CCNCC1
InChIInChI=1S/4C6H13N.4C5H12N2.2C4H10N2/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-7-4-2-6-3-5-7;1-7-4-2-3-6-5-7;1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5;1-6-3-2-5-4-6;1-6-4-2-3-5-6/h2*6-7H,2-5H2,1H3;2-6H2,1H3;6-7H,2-5H2,1H3;3*6H,2-5H2,1H3;5-7H,2-4H2,1H3;2*5H,2-4H2,1H3
InChIKeySAABXPVPRBVBJN-UHFFFAOYSA-N
XLogP3.09
TPSA139.74 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.64
LogP ≤ 53.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze 1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine with MolForge

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Launch Full Analysis

Related Compounds

Piperazin-1-amine;2-piperazin-1-ylethanamine;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine
CID 158262900
N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)piperidin-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 158524033
(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)piperidin-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 158722154
(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane
CID 163585002
Propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
CID 167690216

Frequently Asked Questions

What is the IUPAC name of 1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine?
The IUPAC name of 1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine (CID 160776536) is 1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine.
What is the SMILES notation for 1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine?
The canonical SMILES for 1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine is CC1CCCCN1.CC1CCCNC1.CC1CCNCC1.CC1NCCCN1.CN1CCCCC1.CN1CCCCN1.CN1CCCN1.CN1CCCNC1.CN1CCNC1.CN1CCNCC1.
What is the InChIKey of 1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine?
The InChIKey is SAABXPVPRBVBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H13N.4C5H12N2.2C4H10N2/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-7-4-2-6-3-5-7;1-7-4-2-3-6-5-7;1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5;1-6-3-2-5-4-6;1-6-4-2-3-5-6/h2*6-7H,2-5H2,1H3;2-6H2,1H3;6-7H,2-5H2,1H3;3*6H,2-5H2,1H3;5-7H,2-4H2,1H3;2*5H,2-4H2,1H3.
What are the key properties of 1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine?
1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine has a molecular weight of 969.64 g/mol, XLogP of 3.09, 0 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;1-methylimidazolidine;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine;1-methylpyrazolidine is sourced from PubChem (CID 160776536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).