1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine

C24H52N4 — CID 159398994

IUPAC1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESCN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.2C6H13N.C5H11N/c1-8-6-4-2-3-5-7-8;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2-7H2,1H3;2*2-6H2,1H3;2-5H2,1H3
InChIKeyLNCFFELBGSEIPM-UHFFFAOYSA-N
MW396.71 g/mol
LogP4.41
Rot. Bonds

About 1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine

1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 159398994) has the molecular formula C24H52N4 and a molecular weight of 396.71 g/mol. Its IUPAC name is 1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Name1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine
PubChem CID159398994
Molecular FormulaC24H52N4
Molecular Weight396.71 g/mol
Exact Mass396.42
IUPAC Name1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESCN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.2C6H13N.C5H11N/c1-8-6-4-2-3-5-7-8;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2-7H2,1H3;2*2-6H2,1H3;2-5H2,1H3
InChIKeyLNCFFELBGSEIPM-UHFFFAOYSA-N
XLogP4.41
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.71
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylazepane;tris(1-methylpiperidine)
CID 123602809
1-Propylazepane;1-propylpiperidine;1-propylpyrrolidine
CID 141917270
3,8-Dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;1,2,2,4-tetramethylpiperazine
CID 142347807
Ethane;8-methyl-3-(1-methylpiperidin-4-yl)-3,8-diazabicyclo[3.2.1]octane
CID 143122982
Bis(1-methylpiperidine);1-methylpyrrolidine
CID 143268134
3-[3-(2,4-Dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 146188506
3-methyl-8-[2-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane
CID 148468667
(1S,5R)-3-[5-(2,2-dimethyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 156369434
1-Tert-butylazepane;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;ethane;methane
CID 157194330
1-Methylazepane;1-methylpiperidine;1-methylpyrrolidine
CID 157524647
N,N-dimethylmethanamine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 157619852
1-Tert-butylazepane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;ethane
CID 157965220

Frequently Asked Questions

What is the IUPAC name of 1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of 1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine (CID 159398994) is 1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for 1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for 1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine is CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of 1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is LNCFFELBGSEIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.2C6H13N.C5H11N/c1-8-6-4-2-3-5-7-8;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2-7H2,1H3;2*2-6H2,1H3;2-5H2,1H3.
What are the key properties of 1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine?
1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 396.71 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 159398994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).