4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine

C17H26N2O2 — CID 61080065

IUPAC4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine
SMILESCNC(CCC1CCCCC1)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H26N2O2/c1-18-16(12-11-14-7-3-2-4-8-14)13-15-9-5-6-10-17(15)19(20)21/h5-6,9-10,14,16,18H,2-4,7-8,11-13H2,1H3
InChIKeyRJHJMGZWLVWXSG-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.09
Rot. Bonds7

About 4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine

4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine (PubChem CID 61080065) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine
PubChem CID61080065
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine
SMILESCNC(CCC1CCCCC1)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H26N2O2/c1-18-16(12-11-14-7-3-2-4-8-14)13-15-9-5-6-10-17(15)19(20)21/h5-6,9-10,14,16,18H,2-4,7-8,11-13H2,1H3
InChIKeyRJHJMGZWLVWXSG-UHFFFAOYSA-N
XLogP4.09
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.09
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-(2-chloro-4-cyclohexylbutyl)-2-nitrobenzene
CID 63519722
N,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine
CID 61078044
1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine
CID 61064433
4-ethoxy-N-methyl-1-(2-nitrophenyl)butan-2-amine
CID 61078393
[2-chloro-3-(2-nitrophenyl)propyl]cycloheptane
CID 114458957
4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine
CID 107312312
1-cyclopropyl-N-methyl-3-(2-nitrophenyl)propan-1-amine
CID 63354955
N-(cyclohexylmethyl)-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915162
1-(2-bromo-2-cyclohexylethyl)-2-nitrobenzene
CID 63544135
1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine
CID 63355466
(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
CID 81384906
N-methyl-1-(2-nitrophenyl)-3-propylhexan-2-amine
CID 82987313

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine?
The IUPAC name of 4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine (CID 61080065) is 4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine.
What is the SMILES notation for 4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine?
The canonical SMILES for 4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine is CNC(CCC1CCCCC1)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine?
The InChIKey is RJHJMGZWLVWXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18-16(12-11-14-7-3-2-4-8-14)13-15-9-5-6-10-17(15)19(20)21/h5-6,9-10,14,16,18H,2-4,7-8,11-13H2,1H3.
What are the key properties of 4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine?
4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine has a molecular weight of 290.41 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine is sourced from PubChem (CID 61080065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).