[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine

C15H31N3 — CID 65078662

IUPAC[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
SMILESCC1CCN(C2(CN)CCCN(C(C)C)CC2)C1
InChIInChI=1S/C15H31N3/c1-13(2)17-8-4-6-15(12-16,7-10-17)18-9-5-14(3)11-18/h13-14H,4-12,16H2,1-3H3
InChIKeyACNUQDCNMHJHPL-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds3

About [4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine

[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine (PubChem CID 65078662) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is [4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
PubChem CID65078662
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
SMILESCC1CCN(C2(CN)CCCN(C(C)C)CC2)C1
InChIInChI=1S/C15H31N3/c1-13(2)17-8-4-6-15(12-16,7-10-17)18-9-5-14(3)11-18/h13-14H,4-12,16H2,1-3H3
InChIKeyACNUQDCNMHJHPL-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)-1-propan-2-ylazepan-4-yl]-N,N-dimethylpiperidin-4-amine
CID 65078068
[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65283742
[4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 103531579
[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 107428957
(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 159003358
[1-methyl-3-(3-methylpyrrolidin-1-yl)pyrrolidin-3-yl]methanamine
CID 62976743
4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 158071698
[4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078715
[4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 55062043
[1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757805
[1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine
CID 65078792
[3,3-dimethyl-1-(3-methylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 80705878

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The IUPAC name of [4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine (CID 65078662) is [4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine.
What is the SMILES notation for [4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The canonical SMILES for [4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine is CC1CCN(C2(CN)CCCN(C(C)C)CC2)C1.
What is the InChIKey of [4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The InChIKey is ACNUQDCNMHJHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)17-8-4-6-15(12-16,7-10-17)18-9-5-14(3)11-18/h13-14H,4-12,16H2,1-3H3.
What are the key properties of [4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine is sourced from PubChem (CID 65078662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).