1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine

C15H22N2O2 — CID 63355258

IUPAC1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cccc([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C15H22N2O2/c1-2-10-16-15(13-7-8-13)9-6-12-4-3-5-14(11-12)17(18)19/h3-5,11,13,15-16H,2,6-10H2,1H3
InChIKeyJRHSMYAEPAYVRH-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.31
Rot. Bonds8

About 1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine

1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine (PubChem CID 63355258) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine
PubChem CID63355258
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cccc([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C15H22N2O2/c1-2-10-16-15(13-7-8-13)9-6-12-4-3-5-14(11-12)17(18)19/h3-5,11,13,15-16H,2,6-10H2,1H3
InChIKeyJRHSMYAEPAYVRH-UHFFFAOYSA-N
XLogP3.31
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.31
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'}

Analyze 1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromo-4-nitrophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 63354973
1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine
CID 63355442
1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol
CID 63354561
N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine
CID 63355424
3-(4-bromo-2-nitrophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 114382016
1-(3-bromo-3-cyclopentylpropyl)-3-nitrobenzene
CID 113390423
N-[(3-nitrophenyl)methyl]pentan-2-amine
CID 43179524
N-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665
N-[(1S)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608661
N-[(3-nitrophenyl)methoxy]propan-1-amine
CID 176640003
1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 65446483
N-methyl-2-[(3-nitrophenyl)methylamino]propanamide
CID 61057620

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine (CID 63355258) is 1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine is CCCNC(CCc1cccc([N+](=O)[O-])c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine?
The InChIKey is JRHSMYAEPAYVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-10-16-15(13-7-8-13)9-6-12-4-3-5-14(11-12)17(18)19/h3-5,11,13,15-16H,2,6-10H2,1H3.
What are the key properties of 1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine?
1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 63355258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).