3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol

C16H24N2O3 — CID 103785906

IUPAC3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1CCCC(O)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H24N2O3/c1-2-16(13-6-4-7-14(10-13)18(20)21)17-11-12-5-3-8-15(19)9-12/h4,6-7,10,12,15-17,19H,2-3,5,8-9,11H2,1H3
InChIKeyJIUXDMDVGQYETL-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.19
Rot. Bonds6

About 3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol

3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol (PubChem CID 103785906) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
PubChem CID103785906
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1CCCC(O)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H24N2O3/c1-2-16(13-6-4-7-14(10-13)18(20)21)17-11-12-5-3-8-15(19)9-12/h4,6-7,10,12,15-17,19H,2-3,5,8-9,11H2,1H3
InChIKeyJIUXDMDVGQYETL-UHFFFAOYSA-N
XLogP3.19
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol 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

4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 106127516
2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 64929433
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine
CID 103902179
N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide
CID 106704157
3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785944
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785864
1-(3-nitrophenyl)-N-(thian-4-ylmethyl)butan-1-amine
CID 115719931
N-(cyclopropylmethyl)-1-(3-nitrophenyl)ethanamine
CID 43200769
2,2-dimethyl-N-[1-(3-nitrophenyl)propyl]cyclohexan-1-amine
CID 79867091
1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine
CID 61462195
1-[1-(3-nitrophenyl)propylamino]pentan-3-ol
CID 115729189
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(3-nitrophenyl)propyl]urea
CID 109398812

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol (CID 103785906) is 3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol is CCC(NCC1CCCC(O)C1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol?
The InChIKey is JIUXDMDVGQYETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-16(13-6-4-7-14(10-13)18(20)21)17-11-12-5-3-8-15(19)9-12/h4,6-7,10,12,15-17,19H,2-3,5,8-9,11H2,1H3.
What are the key properties of 3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol?
3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol has a molecular weight of 292.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103785906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).