2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine

C15H22N2O2 — CID 64908882

IUPAC2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine
SMILESCC(NC1CCC(C)C1C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O2/c1-10-7-8-15(11(10)2)16-12(3)13-5-4-6-14(9-13)17(18)19/h4-6,9-12,15-16H,7-8H2,1-3H3
InChIKeyUCTZQGCXCNRIDM-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.68
Rot. Bonds4

About 2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine

2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine (PubChem CID 64908882) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine
PubChem CID64908882
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine
SMILESCC(NC1CCC(C)C1C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O2/c1-10-7-8-15(11(10)2)16-12(3)13-5-4-6-14(9-13)17(18)19/h4-6,9-12,15-16H,7-8H2,1-3H3
InChIKeyUCTZQGCXCNRIDM-UHFFFAOYSA-N
XLogP3.68
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.68
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

3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine
CID 64752209
N-(cyclopropylmethyl)-1-(3-nitrophenyl)ethanamine
CID 43200769
1-N-[1-(3-nitrophenyl)ethyl]cyclobutane-1,3-diamine
CID 80560865
3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64907782
N-[1-(3-nitrophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 54864456
2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]-1,3-dioxan-5-amine
CID 104585272
1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine
CID 81333927
N-[1-(3-nitrophenyl)ethyl]thian-3-amine
CID 62873648
1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 55097157
(1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 81387591
2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
CID 115667947
N-[1-(3-nitrophenyl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60677171

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine (CID 64908882) is 2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine is CC(NC1CCC(C)C1C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine?
The InChIKey is UCTZQGCXCNRIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-7-8-15(11(10)2)16-12(3)13-5-4-6-14(9-13)17(18)19/h4-6,9-12,15-16H,7-8H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine?
2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 64908882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).