N,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine

C17H38N2O — CID 59123484

IUPACN,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
SMILESCCC(CC)CCN(CCN(CC)CC)C(C)COC
InChIInChI=1S/C17H38N2O/c1-7-17(8-2)11-12-19(16(5)15-20-6)14-13-18(9-3)10-4/h16-17H,7-15H2,1-6H3
InChIKeyGVEZWPCMPINSKZ-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.49
Rot. Bonds13

About N,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine

N,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine (PubChem CID 59123484) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is N,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
PubChem CID59123484
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC NameN,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
SMILESCCC(CC)CCN(CCN(CC)CC)C(C)COC
InChIInChI=1S/C17H38N2O/c1-7-17(8-2)11-12-19(16(5)15-20-6)14-13-18(9-3)10-4/h16-17H,7-15H2,1-6H3
InChIKeyGVEZWPCMPINSKZ-UHFFFAOYSA-N
XLogP3.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine (CID 59123484) is N,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine is CCC(CC)CCN(CCN(CC)CC)C(C)COC.
What is the InChIKey of N,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The InChIKey is GVEZWPCMPINSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O/c1-7-17(8-2)11-12-19(16(5)15-20-6)14-13-18(9-3)10-4/h16-17H,7-15H2,1-6H3.
What are the key properties of N,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine?
N,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine has a molecular weight of 286.50 g/mol, XLogP of 3.49, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 59123484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).