1-(4-methylpyrrolidin-3-yl)azepane

C11H22N2 — CID 81458651

IUPAC1-(4-methylpyrrolidin-3-yl)azepane
SMILESCC1CNCC1N1CCCCCC1
InChIInChI=1S/C11H22N2/c1-10-8-12-9-11(10)13-6-4-2-3-5-7-13/h10-12H,2-9H2,1H3
InChIKeyHODGPHYCEAJLKO-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds1

About 1-(4-methylpyrrolidin-3-yl)azepane

1-(4-methylpyrrolidin-3-yl)azepane (PubChem CID 81458651) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(4-methylpyrrolidin-3-yl)azepane.

Molecular Properties

Compound Name1-(4-methylpyrrolidin-3-yl)azepane
PubChem CID81458651
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(4-methylpyrrolidin-3-yl)azepane
SMILESCC1CNCC1N1CCCCCC1
InChIInChI=1S/C11H22N2/c1-10-8-12-9-11(10)13-6-4-2-3-5-7-13/h10-12H,2-9H2,1H3
InChIKeyHODGPHYCEAJLKO-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-piperidin-1-ylpiperidine
CID 18457680
(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine
CID 67315323
3-methyl-1-(4-methylpyrrolidin-3-yl)piperidine
CID 81460806
(3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride
CID 67315320
1-(4-methylpyrrolidin-3-yl)-4-propylpiperidine
CID 81459063
3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine
CID 130578823
(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 95118007
3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine
CID 81460841
N,N-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidin-3-amine
CID 81458935
3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 81460124
1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine
CID 81459939
1-[(2R)-2-methylcyclopentyl]piperidine
CID 59715874

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrrolidin-3-yl)azepane?
The IUPAC name of 1-(4-methylpyrrolidin-3-yl)azepane (CID 81458651) is 1-(4-methylpyrrolidin-3-yl)azepane.
What is the SMILES notation for 1-(4-methylpyrrolidin-3-yl)azepane?
The canonical SMILES for 1-(4-methylpyrrolidin-3-yl)azepane is CC1CNCC1N1CCCCCC1.
What is the InChIKey of 1-(4-methylpyrrolidin-3-yl)azepane?
The InChIKey is HODGPHYCEAJLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10-8-12-9-11(10)13-6-4-2-3-5-7-13/h10-12H,2-9H2,1H3.
What are the key properties of 1-(4-methylpyrrolidin-3-yl)azepane?
1-(4-methylpyrrolidin-3-yl)azepane has a molecular weight of 182.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrrolidin-3-yl)azepane is sourced from PubChem (CID 81458651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).