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

C17H26N2O2 — CID 79865885

IUPAC2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine
SMILESCCCC(NC1CCCC1(C)C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H26N2O2/c1-4-7-15(18-16-10-6-11-17(16,2)3)13-8-5-9-14(12-13)19(20)21/h5,8-9,12,15-16,18H,4,6-7,10-11H2,1-3H3
InChIKeyPRAHLUJXRNQQRR-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.60
Rot. Bonds6

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

2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine (PubChem CID 79865885) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine
PubChem CID79865885
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine
SMILESCCCC(NC1CCCC1(C)C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H26N2O2/c1-4-7-15(18-16-10-6-11-17(16,2)3)13-8-5-9-14(12-13)19(20)21/h5,8-9,12,15-16,18H,4,6-7,10-11H2,1-3H3
InChIKeyPRAHLUJXRNQQRR-UHFFFAOYSA-N
XLogP4.60
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.60
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

2,2-dimethyl-N-[1-(3-nitrophenyl)propyl]cyclohexan-1-amine
CID 79867091
N-[1-(3-nitrophenyl)butyl]cyclopropanamine
CID 43200341
N-[1-(3-nitrophenyl)butyl]oxolan-3-amine
CID 80717270
1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine
CID 61212967
5-[1-(3-nitrophenyl)butylamino]piperidin-2-one
CID 63663334
1-(3-nitrophenyl)-N-(thian-4-ylmethyl)butan-1-amine
CID 115719931
2,5-dimethyl-N-[1-(3-nitrophenyl)butyl]pyrrol-1-amine
CID 79107733
2-[1-(3-nitrophenyl)butylamino]ethanol
CID 43151078
3-[1-(3-nitrophenyl)butylamino]propanamide
CID 43553174
N-[1-(3-nitrophenyl)butyl]pent-1-yn-3-amine
CID 106225040
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine
CID 103902179
1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine
CID 61462195

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine (CID 79865885) is 2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine is CCCC(NC1CCCC1(C)C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine?
The InChIKey is PRAHLUJXRNQQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-7-15(18-16-10-6-11-17(16,2)3)13-8-5-9-14(12-13)19(20)21/h5,8-9,12,15-16,18H,4,6-7,10-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine?
2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine is sourced from PubChem (CID 79865885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).