3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine

C16H24N2O2 — CID 64752209

IUPAC3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C16H24N2O2/c1-11-7-12(2)9-15(8-11)17-13(3)14-5-4-6-16(10-14)18(19)20/h4-6,10-13,15,17H,7-9H2,1-3H3
InChIKeyIALRQKKRLOCKLX-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.07
Rot. Bonds4

About 3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine

3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine (PubChem CID 64752209) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine
PubChem CID64752209
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C16H24N2O2/c1-11-7-12(2)9-15(8-11)17-13(3)14-5-4-6-16(10-14)18(19)20/h4-6,10-13,15,17H,7-9H2,1-3H3
InChIKeyIALRQKKRLOCKLX-UHFFFAOYSA-N
XLogP4.07
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.07
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

1-N-[1-(3-nitrophenyl)ethyl]cyclobutane-1,3-diamine
CID 80560865
1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine
CID 81333927
2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]-1,3-dioxan-5-amine
CID 104585272
2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine
CID 64908882
N-[1-(3-nitrophenyl)ethyl]thian-3-amine
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CID 43200769
1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 55097157
N-[1-(3-nitrophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 54864456
(1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 81387591
N-[1-(3-nitrophenyl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60677171
1-(4-methylphenyl)sulfonyl-N-[1-(3-nitrophenyl)ethyl]piperidin-4-amine
CID 112808889
molecular hydrogen;1-nitro-3-propan-2-ylbenzene
CID 167689608

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine (CID 64752209) is 3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine is CC1CC(C)CC(NC(C)c2cccc([N+](=O)[O-])c2)C1.
What is the InChIKey of 3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine?
The InChIKey is IALRQKKRLOCKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-7-12(2)9-15(8-11)17-13(3)14-5-4-6-16(10-14)18(19)20/h4-6,10-13,15,17H,7-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine?
3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64752209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).