4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine

C14H21N3O2 — CID 104757646

IUPAC4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC1CCC(N)CC1
InChIInChI=1S/C14H21N3O2/c1-9-7-10(2)14(17(18)19)8-13(9)16-12-5-3-11(15)4-6-12/h7-8,11-12,16H,3-6,15H2,1-2H3
InChIKeySAYPTUNKDXMJTR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.89
Rot. Bonds3

About 4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine

4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine (PubChem CID 104757646) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine
PubChem CID104757646
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC1CCC(N)CC1
InChIInChI=1S/C14H21N3O2/c1-9-7-10(2)14(17(18)19)8-13(9)16-12-5-3-11(15)4-6-12/h7-8,11-12,16H,3-6,15H2,1-2H3
InChIKeySAYPTUNKDXMJTR-UHFFFAOYSA-N
XLogP2.89
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.89
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

N-(4,4-dimethylcyclohexyl)-2,4-dimethyl-5-nitroaniline
CID 104757636
3-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopentane-1,3-diamine
CID 113456247
2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline
CID 103145164
N-(2,4-dimethyl-5-nitrophenyl)-1-methylazepan-4-amine
CID 104757350
N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine
CID 104757390
2-bromo-N-(4-ethylcyclohexyl)-4-methyl-5-nitroaniline
CID 104815054
2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572270
N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine
CID 103144891
2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline
CID 104757489
4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide
CID 103145443
1-N-(2-bromo-4-methyl-5-nitrophenyl)cyclohexane-1,3-diamine
CID 104814980
N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 103145183

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine (CID 104757646) is 4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine is Cc1cc(C)c([N+](=O)[O-])cc1NC1CCC(N)CC1.
What is the InChIKey of 4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine?
The InChIKey is SAYPTUNKDXMJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-7-10(2)14(17(18)19)8-13(9)16-12-5-3-11(15)4-6-12/h7-8,11-12,16H,3-6,15H2,1-2H3.
What are the key properties of 4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine?
4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine has a molecular weight of 263.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 104757646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).