7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine

C15H22N2O — CID 68934753

IUPAC7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CCOc2cc(CNC3CCCC3)ccc21
InChIInChI=1S/C15H22N2O/c16-14-7-8-18-15-9-11(5-6-13(14)15)10-17-12-3-1-2-4-12/h5-6,9,12,14,17H,1-4,7-8,10,16H2
InChIKeyVGRRZQQPAYAVBQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.50
Rot. Bonds3

About 7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine

7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 68934753) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID68934753
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CCOc2cc(CNC3CCCC3)ccc21
InChIInChI=1S/C15H22N2O/c16-14-7-8-18-15-9-11(5-6-13(14)15)10-17-12-3-1-2-4-12/h5-6,9,12,14,17H,1-4,7-8,10,16H2
InChIKeyVGRRZQQPAYAVBQ-UHFFFAOYSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 55294378
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
CID 142837750
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclopentanamine
CID 43087524
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139
(4R)-7-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844840
(4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride
CID 171252096
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclooctanamine
CID 43217019
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclohexanamine
CID 43216998
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
4-[(cyclopentylamino)methyl]-2-methylaniline
CID 61149501
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclooctanamine
CID 60590073
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)cyclohexan-1-ol
CID 60870118

Frequently Asked Questions

What is the IUPAC name of 7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 68934753) is 7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine is NC1CCOc2cc(CNC3CCCC3)ccc21.
What is the InChIKey of 7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VGRRZQQPAYAVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-14-7-8-18-15-9-11(5-6-13(14)15)10-17-12-3-1-2-4-12/h5-6,9,12,14,17H,1-4,7-8,10,16H2.
What are the key properties of 7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine?
7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 246.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 68934753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).