1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine

C16H32N2 — CID 78995833

IUPAC1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine
SMILESCCC1CCC(CN)(N(CCC(C)C)C2CC2)C1
InChIInChI=1S/C16H32N2/c1-4-14-7-9-16(11-14,12-17)18(15-5-6-15)10-8-13(2)3/h13-15H,4-12,17H2,1-3H3
InChIKeyDVCBUVQAFNSJJH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds7

About 1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine

1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine (PubChem CID 78995833) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine
PubChem CID78995833
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine
SMILESCCC1CCC(CN)(N(CCC(C)C)C2CC2)C1
InChIInChI=1S/C16H32N2/c1-4-14-7-9-16(11-14,12-17)18(15-5-6-15)10-8-13(2)3/h13-15H,4-12,17H2,1-3H3
InChIKeyDVCBUVQAFNSJJH-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine (CID 78995833) is 1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine is CCC1CCC(CN)(N(CCC(C)C)C2CC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine?
The InChIKey is DVCBUVQAFNSJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-14-7-9-16(11-14,12-17)18(15-5-6-15)10-8-13(2)3/h13-15H,4-12,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine?
1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine is sourced from PubChem (CID 78995833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).