4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine

C16H26N2 — CID 55091365

IUPAC4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine
SMILESCCCC1CCC(Nc2cc(N)ccc2C)CC1
InChIInChI=1S/C16H26N2/c1-3-4-13-6-9-15(10-7-13)18-16-11-14(17)8-5-12(16)2/h5,8,11,13,15,18H,3-4,6-7,9-10,17H2,1-2H3
InChIKeyCUCUBQQXJVFNHH-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.35
Rot. Bonds4

About 4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine

4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine (PubChem CID 55091365) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine
PubChem CID55091365
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine
SMILESCCCC1CCC(Nc2cc(N)ccc2C)CC1
InChIInChI=1S/C16H26N2/c1-3-4-13-6-9-15(10-7-13)18-16-11-14(17)8-5-12(16)2/h5,8,11,13,15,18H,3-4,6-7,9-10,17H2,1-2H3
InChIKeyCUCUBQQXJVFNHH-UHFFFAOYSA-N
XLogP4.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine
CID 65087525
3-N-cyclooctyl-4-methylbenzene-1,3-diamine
CID 62590310
1-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955528
2,5-dimethyl-4-[(4-propylcyclohexyl)amino]phenol
CID 106954098
4-methyl-N-(4-propylcyclohexyl)pyridin-3-amine
CID 63464553
3-N-(1,1-dioxothian-4-yl)-4-methylbenzene-1,3-diamine
CID 55091795
4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
CID 62376796
2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline
CID 28968119
3-methyl-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
CID 115550273
4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455741
2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol
CID 106954139
2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline
CID 103145164

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine (CID 55091365) is 4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine is CCCC1CCC(Nc2cc(N)ccc2C)CC1.
What is the InChIKey of 4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine?
The InChIKey is CUCUBQQXJVFNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-4-13-6-9-15(10-7-13)18-16-11-14(17)8-5-12(16)2/h5,8,11,13,15,18H,3-4,6-7,9-10,17H2,1-2H3.
What are the key properties of 4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine?
4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine is sourced from PubChem (CID 55091365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).