2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine

C16H22N2O — CID 80703288

IUPAC2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine
SMILESCN(Cc1coc2ccccc12)C1CCCC1CN
InChIInChI=1S/C16H22N2O/c1-18(15-7-4-5-12(15)9-17)10-13-11-19-16-8-3-2-6-14(13)16/h2-3,6,8,11-12,15H,4-5,7,9-10,17H2,1H3
InChIKeyVMVZUSILDXFXMQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.99
Rot. Bonds4

About 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine

2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine (PubChem CID 80703288) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine
PubChem CID80703288
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine
SMILESCN(Cc1coc2ccccc12)C1CCCC1CN
InChIInChI=1S/C16H22N2O/c1-18(15-7-4-5-12(15)9-17)10-13-11-19-16-8-3-2-6-14(13)16/h2-3,6,8,11-12,15H,4-5,7,9-10,17H2,1H3
InChIKeyVMVZUSILDXFXMQ-UHFFFAOYSA-N
XLogP2.99
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine
CID 80703550
methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate
CID 115463073
3-(cyclobutylmethyl)-1-benzofuran
CID 145054198
N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 80702542
2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 80703135
N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
CID 80701390
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine
CID 61438774
2-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 61414255
2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine
CID 61421775
(E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine
CID 134559936
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649
2-(aminomethyl)-N-(cyclobutylmethyl)-N-methylcyclopentan-1-amine
CID 62860935

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine (CID 80703288) is 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine is CN(Cc1coc2ccccc12)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine?
The InChIKey is VMVZUSILDXFXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18(15-7-4-5-12(15)9-17)10-13-11-19-16-8-3-2-6-14(13)16/h2-3,6,8,11-12,15H,4-5,7,9-10,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine?
2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 80703288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).