[3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine

C14H27N3 — CID 62976371

IUPAC[3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine
SMILESNCC1(N2CCCCCC2)CCN(C2CC2)C1
InChIInChI=1S/C14H27N3/c15-11-14(17-8-3-1-2-4-9-17)7-10-16(12-14)13-5-6-13/h13H,1-12,15H2
InChIKeyPCRHAYOURGLILM-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.43
Rot. Bonds3

About [3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine

[3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine (PubChem CID 62976371) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is [3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine
PubChem CID62976371
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name[3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine
SMILESNCC1(N2CCCCCC2)CCN(C2CC2)C1
InChIInChI=1S/C14H27N3/c15-11-14(17-8-3-1-2-4-9-17)7-10-16(12-14)13-5-6-13/h13H,1-12,15H2
InChIKeyPCRHAYOURGLILM-UHFFFAOYSA-N
XLogP1.43
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine?
The IUPAC name of [3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine (CID 62976371) is [3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine is NCC1(N2CCCCCC2)CCN(C2CC2)C1.
What is the InChIKey of [3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine?
The InChIKey is PCRHAYOURGLILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c15-11-14(17-8-3-1-2-4-9-17)7-10-16(12-14)13-5-6-13/h13H,1-12,15H2.
What are the key properties of [3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine?
[3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine has a molecular weight of 237.39 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62976371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).