ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine

C39H90N4 — CID 160904536

IUPACethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine
SMILESCC.CC.CC(C)C.CC(C)C.CC(C)C1CCCN1C.CC(C)N1CCCCC1.CN1CCCC1.CN1CCCCC1
InChIInChI=1S/2C8H17N.C6H13N.C5H11N.2C4H10.2C2H6/c1-7(2)8-5-4-6-9(8)3;1-8(2)9-6-4-3-5-7-9;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;2*1-4(2)3;2*1-2/h7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;2-6H2,1H3;2-5H2,1H3;2*4H,1-3H3;2*1-2H3
InChIKeySPYNDHULVZFWLX-UHFFFAOYSA-N
MW615.18 g/mol
LogP10.81
Rot. Bonds2

About ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine

ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine (PubChem CID 160904536) has the molecular formula C39H90N4 and a molecular weight of 615.18 g/mol. Its IUPAC name is ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine
PubChem CID160904536
Molecular FormulaC39H90N4
Molecular Weight615.18 g/mol
Exact Mass614.72
IUPAC Nameethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine
SMILESCC.CC.CC(C)C.CC(C)C.CC(C)C1CCCN1C.CC(C)N1CCCCC1.CN1CCCC1.CN1CCCCC1
InChIInChI=1S/2C8H17N.C6H13N.C5H11N.2C4H10.2C2H6/c1-7(2)8-5-4-6-9(8)3;1-8(2)9-6-4-3-5-7-9;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;2*1-4(2)3;2*1-2/h7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;2-6H2,1H3;2-5H2,1H3;2*4H,1-3H3;2*1-2H3
InChIKeySPYNDHULVZFWLX-UHFFFAOYSA-N
XLogP10.81
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.18
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine with MolForge

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Related Compounds

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CID 170601993
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
ethane;propan-2-ylcyclohexane;1-propan-2-ylpiperidine
CID 159094239
1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine
CID 159993656
1-methyl-2-propan-2-ylazetidine
CID 23588958
ethane;1-propan-2-ylpyrrolidine
CID 167557798
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
1,2-di(propan-2-yl)azocane
CID 134605032
bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine
CID 164988773
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine?
The IUPAC name of ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine (CID 160904536) is ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine.
What is the SMILES notation for ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine?
The canonical SMILES for ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine is CC.CC.CC(C)C.CC(C)C.CC(C)C1CCCN1C.CC(C)N1CCCCC1.CN1CCCC1.CN1CCCCC1.
What is the InChIKey of ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine?
The InChIKey is SPYNDHULVZFWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17N.C6H13N.C5H11N.2C4H10.2C2H6/c1-7(2)8-5-4-6-9(8)3;1-8(2)9-6-4-3-5-7-9;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;2*1-4(2)3;2*1-2/h7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;2-6H2,1H3;2-5H2,1H3;2*4H,1-3H3;2*1-2H3.
What are the key properties of ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine?
ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine has a molecular weight of 615.18 g/mol, XLogP of 10.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine is sourced from PubChem (CID 160904536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).