4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine

C14H22N2 — CID 78917483

IUPAC4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine
SMILESCc1ccc(N(C)C2CCC(N)CC2)cc1
InChIInChI=1S/C14H22N2/c1-11-3-7-13(8-4-11)16(2)14-9-5-12(15)6-10-14/h3-4,7-8,12,14H,5-6,9-10,15H2,1-2H3
InChIKeyUIBCFEWCSFMNLZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.70
Rot. Bonds2

About 4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine

4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine (PubChem CID 78917483) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine
PubChem CID78917483
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine
SMILESCc1ccc(N(C)C2CCC(N)CC2)cc1
InChIInChI=1S/C14H22N2/c1-11-3-7-13(8-4-11)16(2)14-9-5-12(15)6-10-14/h3-4,7-8,12,14H,5-6,9-10,15H2,1-2H3
InChIKeyUIBCFEWCSFMNLZ-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 115149728
4-(N,4-dimethylanilino)cyclohexan-1-ol
CID 114762541
4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 115149765
cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine
CID 146194427
4-(N,4-dimethylanilino)-1-(methylaminomethyl)cyclohexan-1-ol
CID 117039434
(2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 170897786
4-[(4-aminocyclohexyl)-methylamino]-2-bromobenzonitrile
CID 107280809
4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine
CID 115149791
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79115372
4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine
CID 115149750
4-N-(2-ethoxyphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 117029195
2-[(4-aminocyclohexyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 79113304

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine (CID 78917483) is 4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine is Cc1ccc(N(C)C2CCC(N)CC2)cc1.
What is the InChIKey of 4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine?
The InChIKey is UIBCFEWCSFMNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-3-7-13(8-4-11)16(2)14-9-5-12(15)6-10-14/h3-4,7-8,12,14H,5-6,9-10,15H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 78917483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).