N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine

C15H22N2O2 — CID 103753070

IUPACN-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine
SMILESCC1(CNCc2cccc([N+](=O)[O-])c2)CCCCC1
InChIInChI=1S/C15H22N2O2/c1-15(8-3-2-4-9-15)12-16-11-13-6-5-7-14(10-13)17(18)19/h5-7,10,16H,2-4,8-9,11-12H2,1H3
InChIKeyJYYXGCIGDGPCRN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.65
Rot. Bonds5

About N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine

N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine (PubChem CID 103753070) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine
PubChem CID103753070
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine
SMILESCC1(CNCc2cccc([N+](=O)[O-])c2)CCCCC1
InChIInChI=1S/C15H22N2O2/c1-15(8-3-2-4-9-15)12-16-11-13-6-5-7-14(10-13)17(18)19/h5-7,10,16H,2-4,8-9,11-12H2,1H3
InChIKeyJYYXGCIGDGPCRN-UHFFFAOYSA-N
XLogP3.65
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.65
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

N-[(1-ethylcyclobutyl)methyl]-1-(3-nitrophenyl)methanamine
CID 113252692
[1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524809
N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride
CID 522947
N-[(3-nitrophenyl)methyl]methanesulfonamide
CID 47454245
N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine
CID 103735801
N'-[(3-nitrophenyl)methyl]butane-1,4-diamine
CID 60893430
2-methyl-N-[(3-nitrophenyl)methyl]prop-2-en-1-amine
CID 62504529
2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine
CID 60732590
N-[(1-methylcyclobutyl)methyl]-1-(5-nitrothiophen-3-yl)methanamine;hydrochloride
CID 115680468
N'-[(3-nitrophenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442158
3-[[(1-methylcyclopropyl)methylamino]methyl]phenol
CID 103724255
N-[(3,4-dibromophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 115693133

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine (CID 103753070) is N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine is CC1(CNCc2cccc([N+](=O)[O-])c2)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine?
The InChIKey is JYYXGCIGDGPCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(8-3-2-4-9-15)12-16-11-13-6-5-7-14(10-13)17(18)19/h5-7,10,16H,2-4,8-9,11-12H2,1H3.
What are the key properties of N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine?
N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine has a molecular weight of 262.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine is sourced from PubChem (CID 103753070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).