4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol

C16H24N2O3 — CID 106127516

IUPAC4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1CCC(O)CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H24N2O3/c1-2-16(13-4-3-5-14(10-13)18(20)21)17-11-12-6-8-15(19)9-7-12/h3-5,10,12,15-17,19H,2,6-9,11H2,1H3
InChIKeyLZNKXZMSMQTJFR-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.19
Rot. Bonds6

About 4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol

4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol (PubChem CID 106127516) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
PubChem CID106127516
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1CCC(O)CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H24N2O3/c1-2-16(13-4-3-5-14(10-13)18(20)21)17-11-12-6-8-15(19)9-7-12/h3-5,10,12,15-17,19H,2,6-9,11H2,1H3
InChIKeyLZNKXZMSMQTJFR-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

3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785906
2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 64929433
N-(cyclopropylmethyl)-1-(3-nitrophenyl)ethanamine
CID 43200769
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine
CID 103902179
1-(3-nitrophenyl)-N-(thian-4-ylmethyl)butan-1-amine
CID 115719931
2-N,2-N,3-trimethyl-1-N-[1-(3-nitrophenyl)propyl]butane-1,2-diamine
CID 43246265
1-[1-(3-nitrophenyl)propylamino]pentan-3-ol
CID 115729189
N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide
CID 106704157
1-(3-nitrophenyl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 115902068
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
4-methyl-1-[1-(3-nitrophenyl)propylamino]pentan-2-ol
CID 103779754
N'-methyl-N-[1-(3-nitrophenyl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 62635214

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol (CID 106127516) is 4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol is CCC(NCC1CCC(O)CC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol?
The InChIKey is LZNKXZMSMQTJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-16(13-4-3-5-14(10-13)18(20)21)17-11-12-6-8-15(19)9-7-12/h3-5,10,12,15-17,19H,2,6-9,11H2,1H3.
What are the key properties of 4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol?
4-[[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 4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106127516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).