4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine

C17H33N3 — CID 106173479

IUPAC4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(NCCC2=CCCC2)CC1
InChIInChI=1S/C17H33N3/c1-2-12-20-13-5-9-17(15-18,10-14-20)19-11-8-16-6-3-4-7-16/h6,19H,2-5,7-15,18H2,1H3
InChIKeyWUQBZLKGGAPSTK-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.67
Rot. Bonds7

About 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine

4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine (PubChem CID 106173479) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine
PubChem CID106173479
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(NCCC2=CCCC2)CC1
InChIInChI=1S/C17H33N3/c1-2-12-20-13-5-9-17(15-18,10-14-20)19-11-8-16-6-3-4-7-16/h6,19H,2-5,7-15,18H2,1H3
InChIKeyWUQBZLKGGAPSTK-UHFFFAOYSA-N
XLogP2.67
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine (CID 106173479) is 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine is CCCN1CCCC(CN)(NCCC2=CCCC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine?
The InChIKey is WUQBZLKGGAPSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-12-20-13-5-9-17(15-18,10-14-20)19-11-8-16-6-3-4-7-16/h6,19H,2-5,7-15,18H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine?
4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine has a molecular weight of 279.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine is sourced from PubChem (CID 106173479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).