N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine

C18H38N2 — CID 79093322

IUPACN',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)C1CCCC(CC)C1
InChIInChI=1S/C18H38N2/c1-5-13-19-18(12-14-20(7-3)8-4)17-11-9-10-16(6-2)15-17/h16-19H,5-15H2,1-4H3
InChIKeyKKDUXJFSTLNDMO-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds10

About N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine

N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine (PubChem CID 79093322) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
PubChem CID79093322
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)C1CCCC(CC)C1
InChIInChI=1S/C18H38N2/c1-5-13-19-18(12-14-20(7-3)8-4)17-11-9-10-16(6-2)15-17/h16-19H,5-15H2,1-4H3
InChIKeyKKDUXJFSTLNDMO-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105156081
1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415766
1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103035736
N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105156181
3-(3-ethylcyclohexyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259229
N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010677
3-ethyl-1-(3-ethylcyclopentyl)-N-propylpentan-1-amine
CID 82922992
1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine
CID 79411539
2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine
CID 64533810
N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824497
3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine
CID 105156239

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine (CID 79093322) is N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine is CCCNC(CCN(CC)CC)C1CCCC(CC)C1.
What is the InChIKey of N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine?
The InChIKey is KKDUXJFSTLNDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-13-19-18(12-14-20(7-3)8-4)17-11-9-10-16(6-2)15-17/h16-19H,5-15H2,1-4H3.
What are the key properties of N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine?
N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine is sourced from PubChem (CID 79093322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).