2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine

C18H36N2 — CID 63465286

IUPAC2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine
SMILESCCCC1CCC(NC)C(N(CC)C2CCCCC2)C1
InChIInChI=1S/C18H36N2/c1-4-9-15-12-13-17(19-3)18(14-15)20(5-2)16-10-7-6-8-11-16/h15-19H,4-14H2,1-3H3
InChIKeyIZTAQGGDYGOBLR-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds6

About 2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine

2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine (PubChem CID 63465286) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine
PubChem CID63465286
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine
SMILESCCCC1CCC(NC)C(N(CC)C2CCCCC2)C1
InChIInChI=1S/C18H36N2/c1-4-9-15-12-13-17(19-3)18(14-15)20(5-2)16-10-7-6-8-11-16/h15-19H,4-14H2,1-3H3
InChIKeyIZTAQGGDYGOBLR-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

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Related Compounds

4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine
CID 63464756
2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine
CID 78944026
2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine
CID 63465935
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine
CID 105414353
1-N,2-N-dimethyl-4-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
CID 63206871
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylcyclohexane-1,2-diamine
CID 79314207
2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62616400
N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine
CID 64634825
2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine
CID 63466542
2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63069511
N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65088688
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine (CID 63465286) is 2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine is CCCC1CCC(NC)C(N(CC)C2CCCCC2)C1.
What is the InChIKey of 2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine?
The InChIKey is IZTAQGGDYGOBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-9-15-12-13-17(19-3)18(14-15)20(5-2)16-10-7-6-8-11-16/h15-19H,4-14H2,1-3H3.
What are the key properties of 2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine?
2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-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 2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 63465286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).