4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine

C17H26N2O2 — CID 61065009

IUPAC4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine
SMILESCCNC(CCC1CCCC1)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H26N2O2/c1-2-18-16(10-7-14-5-3-4-6-14)13-15-8-11-17(12-9-15)19(20)21/h8-9,11-12,14,16,18H,2-7,10,13H2,1H3
InChIKeyYZQKLRCFMOPEGM-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.09
Rot. Bonds8

About 4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine

4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine (PubChem CID 61065009) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine
PubChem CID61065009
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine
SMILESCCNC(CCC1CCCC1)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H26N2O2/c1-2-18-16(10-7-14-5-3-4-6-14)13-15-8-11-17(12-9-15)19(20)21/h8-9,11-12,14,16,18H,2-7,10,13H2,1H3
InChIKeyYZQKLRCFMOPEGM-UHFFFAOYSA-N
XLogP4.09
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopentyl-N-ethyl-1-phenylbutan-2-amine
CID 63526556
4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine
CID 63527108
(2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane
CID 160747845
N-ethyl-4-methyl-1-(4-nitrophenyl)hexan-2-amine
CID 114875092
1-(4-nitrophenyl)-N-propylpentan-2-amine
CID 55138222
1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine
CID 103043472
4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 105412616
1-(2-chloro-3-cyclopentylpropyl)-4-nitrobenzene
CID 55224063
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine
CID 107001864
1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103168468
[1-chloro-2-(4-nitrophenyl)ethyl]cycloheptane
CID 63542815
1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 65458139

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine?
The IUPAC name of 4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine (CID 61065009) is 4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine?
The canonical SMILES for 4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine is CCNC(CCC1CCCC1)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine?
The InChIKey is YZQKLRCFMOPEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-18-16(10-7-14-5-3-4-6-14)13-15-8-11-17(12-9-15)19(20)21/h8-9,11-12,14,16,18H,2-7,10,13H2,1H3.
What are the key properties of 4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine?
4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine has a molecular weight of 290.41 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine is sourced from PubChem (CID 61065009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).