N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine

C18H36N2 — CID 79834348

IUPACN'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNC1CCCCC1(C)C)C1CCCCC1
InChIInChI=1S/C18H36N2/c1-18(2)13-8-7-12-17(18)19-14-9-15-20(3)16-10-5-4-6-11-16/h16-17,19H,4-15H2,1-3H3
InChIKeyXDNXQGNQCLWQOE-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds6

About N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine

N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine (PubChem CID 79834348) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine
PubChem CID79834348
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNC1CCCCC1(C)C)C1CCCCC1
InChIInChI=1S/C18H36N2/c1-18(2)13-8-7-12-17(18)19-14-9-15-20(3)16-10-5-4-6-11-16/h16-17,19H,4-15H2,1-3H3
InChIKeyXDNXQGNQCLWQOE-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine (CID 79834348) is N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine is CN(CCCNC1CCCCC1(C)C)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine?
The InChIKey is XDNXQGNQCLWQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-18(2)13-8-7-12-17(18)19-14-9-15-20(3)16-10-5-4-6-11-16/h16-17,19H,4-15H2,1-3H3.
What are the key properties of N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine?
N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 79834348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).