N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine

C19H32N2 — CID 63451944

IUPACN'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCc1cc(C)cc(CNCCCN(C)C2CCCCC2)c1
InChIInChI=1S/C19H32N2/c1-16-12-17(2)14-18(13-16)15-20-10-7-11-21(3)19-8-5-4-6-9-19/h12-14,19-20H,4-11,15H2,1-3H3
InChIKeyOLKZXEITDKGUOM-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.05
Rot. Bonds7

About N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine

N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 63451944) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID63451944
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCc1cc(C)cc(CNCCCN(C)C2CCCCC2)c1
InChIInChI=1S/C19H32N2/c1-16-12-17(2)14-18(13-16)15-20-10-7-11-21(3)19-8-5-4-6-9-19/h12-14,19-20H,4-11,15H2,1-3H3
InChIKeyOLKZXEITDKGUOM-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60733454
N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60733037
N'-cyclohexyl-N-[(1-ethylpyrrol-3-yl)methyl]-N'-methylpropane-1,3-diamine
CID 66413997
3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]benzonitrile
CID 60732885
N'-cyclohexyl-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
CID 60777015
N'-cyclohexyl-N-[(2,6-difluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60980291
N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine
CID 62127761
4-chloro-2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenol
CID 60981639
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
N-[(4-bromo-3-methylphenyl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 66472639
N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 115938175
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine (CID 63451944) is N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine is Cc1cc(C)cc(CNCCCN(C)C2CCCCC2)c1.
What is the InChIKey of N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is OLKZXEITDKGUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-16-12-17(2)14-18(13-16)15-20-10-7-11-21(3)19-8-5-4-6-9-19/h12-14,19-20H,4-11,15H2,1-3H3.
What are the key properties of N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine?
N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63451944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).