2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine

C14H20N2O2 — CID 60732590

IUPAC2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine
SMILESO=[N+]([O-])c1cccc(CNCCC2CCCC2)c1
InChIInChI=1S/C14H20N2O2/c17-16(18)14-7-3-6-13(10-14)11-15-9-8-12-4-1-2-5-12/h3,6-7,10,12,15H,1-2,4-5,8-9,11H2
InChIKeyWEEFBUAWBGPCBA-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.26
Rot. Bonds6

About 2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine

2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine (PubChem CID 60732590) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine
PubChem CID60732590
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine
SMILESO=[N+]([O-])c1cccc(CNCCC2CCCC2)c1
InChIInChI=1S/C14H20N2O2/c17-16(18)14-7-3-6-13(10-14)11-15-9-8-12-4-1-2-5-12/h3,6-7,10,12,15H,1-2,4-5,8-9,11H2
InChIKeyWEEFBUAWBGPCBA-UHFFFAOYSA-N
XLogP3.26
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(cyclohexylmethyl)piperidin-4-yl]-N-[(3-nitrophenyl)methyl]methanamine
CID 44533600
N'-cyclopropyl-N'-methyl-N-[(3-nitrophenyl)methyl]ethane-1,2-diamine
CID 62976814
1-N,2-N-bis[(3-nitrophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040610
N-[(2-chloro-5-nitrophenyl)methyl]-2-cyclohexylethanamine
CID 63448659
3-[(2-cyclohexylethylamino)methyl]phenol
CID 60752412
N-[(3-nitrophenyl)methyl]pent-4-yn-1-amine
CID 115656507
N'-[(3-nitrophenyl)methyl]butane-1,4-diamine
CID 60893430
2-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 62367003
N-[(3-nitrophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 115584875
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709
3-[(2-cyclohexylethylamino)methyl]-N-methylaniline
CID 115212292
2-cyclohexyl-N-[(5-nitrothiophen-3-yl)methyl]ethanamine
CID 54932019

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine (CID 60732590) is 2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine is O=[N+]([O-])c1cccc(CNCCC2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine?
The InChIKey is WEEFBUAWBGPCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-16(18)14-7-3-6-13(10-14)11-15-9-8-12-4-1-2-5-12/h3,6-7,10,12,15H,1-2,4-5,8-9,11H2.
What are the key properties of 2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine?
2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine has a molecular weight of 248.33 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 60732590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).