2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol

C16H24N2O3 — CID 64929433

IUPAC2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1CCCCC1O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H24N2O3/c1-2-15(12-7-5-8-14(10-12)18(20)21)17-11-13-6-3-4-9-16(13)19/h5,7-8,10,13,15-17,19H,2-4,6,9,11H2,1H3
InChIKeySRMXAAKPZCXLKU-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.19
Rot. Bonds6

About 2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol

2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol (PubChem CID 64929433) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
PubChem CID64929433
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1CCCCC1O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H24N2O3/c1-2-15(12-7-5-8-14(10-12)18(20)21)17-11-13-6-3-4-9-16(13)19/h5,7-8,10,13,15-17,19H,2-4,6,9,11H2,1H3
InChIKeySRMXAAKPZCXLKU-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'}

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Related Compounds

4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 106127516
3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785906
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(3-nitrophenyl)propyl]urea
CID 109398812
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine
CID 103902179
2,2-dimethyl-N-[1-(3-nitrophenyl)propyl]cyclohexan-1-amine
CID 79867091
1-[1-(3-nitrophenyl)propylamino]pentan-3-ol
CID 115729189
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43545307
5-[1-(3-nitrophenyl)propylamino]pentan-2-ol
CID 107270181
4-methyl-1-[1-(3-nitrophenyl)propylamino]pentan-2-ol
CID 103779754
2-ethyl-2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 103935771
N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine
CID 62635178

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol (CID 64929433) is 2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol is CCC(NCC1CCCCC1O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol?
The InChIKey is SRMXAAKPZCXLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-15(12-7-5-8-14(10-12)18(20)21)17-11-13-6-3-4-9-16(13)19/h5,7-8,10,13,15-17,19H,2-4,6,9,11H2,1H3.
What are the key properties of 2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol?
2-[[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 2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64929433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).