N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine

C16H26N2 — CID 96675502

IUPACN'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H26N2/c1-18(13-5-12-17)16-10-8-15(9-11-16)14-6-3-2-4-7-14/h8-11,14H,2-7,12-13,17H2,1H3
InChIKeyXEOWNWWCJAMOOG-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.52
Rot. Bonds5

About N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine

N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 96675502) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine
PubChem CID96675502
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H26N2/c1-18(13-5-12-17)16-10-8-15(9-11-16)14-6-3-2-4-7-14/h8-11,14H,2-7,12-13,17H2,1H3
InChIKeyXEOWNWWCJAMOOG-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.52
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

N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline
CID 115215489
1-(4-cyclohexyl-N-methylanilino)propan-2-one
CID 115234545
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine
CID 155134226
4-(4-cyclopentylphenyl)butan-1-amine
CID 117310056
4-cyclobutyl-N,N-dimethylaniline
CID 170179749
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 55087484
1-(4-cyclohexylphenyl)butane-1,4-diamine
CID 116933691
N'-(4-cyclohexylphenyl)butane-1,4-diamine
CID 115200971
(4-cyclohexylphenyl)methanamine
CID 22246867
2-(4-cyclohexylphenoxy)ethanamine
CID 542015

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine (CID 96675502) is N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine is CN(CCCN)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is XEOWNWWCJAMOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-18(13-5-12-17)16-10-8-15(9-11-16)14-6-3-2-4-7-14/h8-11,14H,2-7,12-13,17H2,1H3.
What are the key properties of N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine?
N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 96675502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).