N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine

C18H36N2 — CID 63494489

IUPACN-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCCC(CC)(CNC1CC1)CN(C)C1CCC(C)CC1
InChIInChI=1S/C18H36N2/c1-5-18(6-2,13-19-16-9-10-16)14-20(4)17-11-7-15(3)8-12-17/h15-17,19H,5-14H2,1-4H3
InChIKeyPQZALMGGFFITLD-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds8

About N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine

N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine (PubChem CID 63494489) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
PubChem CID63494489
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCCC(CC)(CNC1CC1)CN(C)C1CCC(C)CC1
InChIInChI=1S/C18H36N2/c1-5-18(6-2,13-19-16-9-10-16)14-20(4)17-11-7-15(3)8-12-17/h15-17,19H,5-14H2,1-4H3
InChIKeyPQZALMGGFFITLD-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 63494314
N-cyclohexyl-N'-cyclopropyl-2,2-diethyl-N-methylpropane-1,3-diamine
CID 62263046
2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62260372
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494862
N,N'-dicyclopropyl-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 62263843
N,N'-dicyclopropyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62262170
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62256141
N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
CID 55195594
N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258731
N'-cyclopropyl-2,2-diethyl-N,N-bis(2-methylpropyl)propane-1,3-diamine
CID 63495326
N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 62263106
N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine
CID 63494824

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine (CID 63494489) is N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine is CCC(CC)(CNC1CC1)CN(C)C1CCC(C)CC1.
What is the InChIKey of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is PQZALMGGFFITLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-18(6-2,13-19-16-9-10-16)14-20(4)17-11-7-15(3)8-12-17/h15-17,19H,5-14H2,1-4H3.
What are the key properties of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 63494489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).