2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine

C18H28N2 — CID 79982572

IUPAC2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine
SMILESCCN(Cc1ccccc1C1CC1)C1CCCC1CN
InChIInChI=1S/C18H28N2/c1-2-20(18-9-5-7-15(18)12-19)13-16-6-3-4-8-17(16)14-10-11-14/h3-4,6,8,14-15,18H,2,5,7,9-13,19H2,1H3
InChIKeyXHKTVIVGQGIGML-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.51
Rot. Bonds6

About 2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine

2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine (PubChem CID 79982572) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine
PubChem CID79982572
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine
SMILESCCN(Cc1ccccc1C1CC1)C1CCCC1CN
InChIInChI=1S/C18H28N2/c1-2-20(18-9-5-7-15(18)12-19)13-16-6-3-4-8-17(16)14-10-11-14/h3-4,6,8,14-15,18H,2,5,7,9-13,19H2,1H3
InChIKeyXHKTVIVGQGIGML-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine (CID 79982572) is 2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine is CCN(Cc1ccccc1C1CC1)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine?
The InChIKey is XHKTVIVGQGIGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-20(18-9-5-7-15(18)12-19)13-16-6-3-4-8-17(16)14-10-11-14/h3-4,6,8,14-15,18H,2,5,7,9-13,19H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine?
2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 79982572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).