4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine

C16H33N3 — CID 65075624

IUPAC4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine
SMILESCCN1CCCC(CN)(N(C)CC2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-3-19-11-6-9-16(14-17,10-12-19)18(2)13-15-7-4-5-8-15/h15H,3-14,17H2,1-2H3
InChIKeyQYIUCPSWTHYESY-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds5

About 4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine

4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine (PubChem CID 65075624) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine
PubChem CID65075624
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine
SMILESCCN1CCCC(CN)(N(C)CC2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-3-19-11-6-9-16(14-17,10-12-19)18(2)13-15-7-4-5-8-15/h15H,3-14,17H2,1-2H3
InChIKeyQYIUCPSWTHYESY-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine (CID 65075624) is 4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine is CCN1CCCC(CN)(N(C)CC2CCCC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine?
The InChIKey is QYIUCPSWTHYESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-19-11-6-9-16(14-17,10-12-19)18(2)13-15-7-4-5-8-15/h15H,3-14,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine?
4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine is sourced from PubChem (CID 65075624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).