1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine

C15H32N2O — CID 79617939

IUPAC1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine
SMILESCCCNC1CCCC(N(CC)C(C)COC)C1
InChIInChI=1S/C15H32N2O/c1-5-10-16-14-8-7-9-15(11-14)17(6-2)13(3)12-18-4/h13-16H,5-12H2,1-4H3
InChIKeyKZAOFSOUDOVJLN-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.65
Rot. Bonds8

About 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine

1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine (PubChem CID 79617939) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine
PubChem CID79617939
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine
SMILESCCCNC1CCCC(N(CC)C(C)COC)C1
InChIInChI=1S/C15H32N2O/c1-5-10-16-14-8-7-9-15(11-14)17(6-2)13(3)12-18-4/h13-16H,5-12H2,1-4H3
InChIKeyKZAOFSOUDOVJLN-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine
CID 79618055
1-N-(1-methoxypropan-2-yl)-1-N-methyl-3-N-propylcyclohexane-1,3-diamine
CID 79617934
1-N-ethyl-1-N-(2-methoxyethyl)-3-N-propylcyclohexane-1,3-diamine
CID 79618820
1-N-ethyl-1-N-(2-ethylbutyl)-3-N-propylcyclohexane-1,3-diamine
CID 79631157
1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine
CID 79631344
1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine
CID 79630573
4-N-butan-2-yl-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
CID 114762837
1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine
CID 80561797
3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine
CID 103487466
1-N-(cyclopropylmethyl)-1-N-methyl-3-N-propylcyclohexane-1,3-diamine
CID 79631247
1-N,3-N-diethyl-1-N-(2-methoxyethyl)cyclohexane-1,3-diamine
CID 79618929
3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
CID 79643635

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine (CID 79617939) is 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine is CCCNC1CCCC(N(CC)C(C)COC)C1.
What is the InChIKey of 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine?
The InChIKey is KZAOFSOUDOVJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-10-16-14-8-7-9-15(11-14)17(6-2)13(3)12-18-4/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine?
1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine is sourced from PubChem (CID 79617939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).