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

C64H144N16 — CID 162228791

IUPAC1-methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine
SMILESCC1CCCCCN1.CC1CCCCN1.CC1CCCCNC1.CC1CCCNC1.CC1CCNCC1.CC1CCNCN1.CC1NCCCN1.CN1CCCCCC1.CN1CCCCN1.CN1CCCNC1.CN1CCNCC1
InChIInChI=1S/3C7H15N.3C6H13N.5C5H12N2/c1-7-4-2-3-5-8-6-7;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-8-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-7-4-2-6-3-5-7;1-5-2-3-6-4-7-5;1-7-4-2-3-6-5-7;1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5/h7-8H,2-6H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;3*6-7H,2-5H2,1H3;6H,2-5H2,1H3;5-7H,2-4H2,1H3;2*6H,2-5H2,1H3;5-7H,2-4H2,1H3
InChIKeyZVCXXZPZOKWEPX-UHFFFAOYSA-N
MW1137.97 g/mol
LogP7.02
Rot. Bonds

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

1-methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine (PubChem CID 162228791) has the molecular formula C64H144N16 and a molecular weight of 1137.97 g/mol. Its IUPAC name is 1-methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine.

Molecular Properties

Compound Name1-methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine
PubChem CID162228791
Molecular FormulaC64H144N16
Molecular Weight1137.97 g/mol
Exact Mass1137.18
IUPAC Name1-methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine
SMILESCC1CCCCCN1.CC1CCCCN1.CC1CCCCNC1.CC1CCCNC1.CC1CCNCC1.CC1CCNCN1.CC1NCCCN1.CN1CCCCCC1.CN1CCCCN1.CN1CCCNC1.CN1CCNCC1
InChIInChI=1S/3C7H15N.3C6H13N.5C5H12N2/c1-7-4-2-3-5-8-6-7;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-8-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-7-4-2-6-3-5-7;1-5-2-3-6-4-7-5;1-7-4-2-3-6-5-7;1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5/h7-8H,2-6H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;3*6-7H,2-5H2,1H3;6H,2-5H2,1H3;5-7H,2-4H2,1H3;2*6H,2-5H2,1H3;5-7H,2-4H2,1H3
InChIKeyZVCXXZPZOKWEPX-UHFFFAOYSA-N
XLogP7.02
TPSA157.32 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001137.97
LogP ≤ 57.02
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

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

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Launch Full Analysis

Related Compounds

1-Methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine
CID 158162340
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
1-Methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine
CID 159575021
1,4-Diazatricyclo[4.3.1.13,8]undecane;ethane;bis(4-ethyl-1,4-diazatricyclo[4.3.1.13,8]undecane);propane
CID 159701543
1,3-Dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine
CID 160693849

Frequently Asked Questions

What is the IUPAC name of 1-methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine?
The IUPAC name of 1-methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine (CID 162228791) is 1-methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine.
What is the SMILES notation for 1-methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine?
The canonical SMILES for 1-methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine is CC1CCCCCN1.CC1CCCCN1.CC1CCCCNC1.CC1CCCNC1.CC1CCNCC1.CC1CCNCN1.CC1NCCCN1.CN1CCCCCC1.CN1CCCCN1.CN1CCCNC1.CN1CCNCC1.
What is the InChIKey of 1-methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine?
The InChIKey is ZVCXXZPZOKWEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H15N.3C6H13N.5C5H12N2/c1-7-4-2-3-5-8-6-7;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-8-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-7-4-2-6-3-5-7;1-5-2-3-6-4-7-5;1-7-4-2-3-6-5-7;1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5/h7-8H,2-6H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;3*6-7H,2-5H2,1H3;6H,2-5H2,1H3;5-7H,2-4H2,1H3;2*6H,2-5H2,1H3;5-7H,2-4H2,1H3.
What are the key properties of 1-methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine?
1-methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine has a molecular weight of 1137.97 g/mol, XLogP of 7.02, 0 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine is sourced from PubChem (CID 162228791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).