1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine

C17H34N2O — CID 104744921

IUPAC1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C1CCOCC1)C1CCCCC1
InChIInChI=1S/C17H34N2O/c1-3-11-18-17(15-7-5-4-6-8-15)14-19(2)16-9-12-20-13-10-16/h15-18H,3-14H2,1-2H3
InChIKeyZXOKGMSCZNYQHE-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds7

About 1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine

1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine (PubChem CID 104744921) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine
PubChem CID104744921
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C1CCOCC1)C1CCCCC1
InChIInChI=1S/C17H34N2O/c1-3-11-18-17(15-7-5-4-6-8-15)14-19(2)16-9-12-20-13-10-16/h15-18H,3-14H2,1-2H3
InChIKeyZXOKGMSCZNYQHE-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 104744928
N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104744950
1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089211
N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745572
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
1-cyclohexyl-N'-cyclopropyl-N,N'-dimethylethane-1,2-diamine
CID 104744627
1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744433
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclohexyl-N'-propan-2-yl-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104745637
N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine
CID 104744588
1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 104746446
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine (CID 104744921) is 1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine is CCCNC(CN(C)C1CCOCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine?
The InChIKey is ZXOKGMSCZNYQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-11-18-17(15-7-5-4-6-8-15)14-19(2)16-9-12-20-13-10-16/h15-18H,3-14H2,1-2H3.
What are the key properties of 1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine?
1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 104744921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).