2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine

C17H39N3 — CID 102997666

IUPAC2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCC(CNCC(C)C)N(CC)CCCN(CC)CC
InChIInChI=1S/C17H39N3/c1-7-17(15-18-14-16(5)6)20(10-4)13-11-12-19(8-2)9-3/h16-18H,7-15H2,1-6H3
InChIKeyYTRGGWJDJSHHLK-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.06
Rot. Bonds13

About 2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine

2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine (PubChem CID 102997666) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is 2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine
PubChem CID102997666
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC Name2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCC(CNCC(C)C)N(CC)CCCN(CC)CC
InChIInChI=1S/C17H39N3/c1-7-17(15-18-14-16(5)6)20(10-4)13-11-12-19(8-2)9-3/h16-18H,7-15H2,1-6H3
InChIKeyYTRGGWJDJSHHLK-UHFFFAOYSA-N
XLogP3.06
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 79480134
2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine
CID 102997714
N'-ethyl-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62421595
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine
CID 102992540
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine
CID 102992527
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine
CID 79482264
2-[3-(diethylamino)propyl-ethylamino]butanehydrazide
CID 102998207
N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine
CID 62421601
2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine
CID 63492058
2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62420464
1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine
CID 102997683
2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226048

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine (CID 102997666) is 2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine is CCC(CNCC(C)C)N(CC)CCCN(CC)CC.
What is the InChIKey of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The InChIKey is YTRGGWJDJSHHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-7-17(15-18-14-16(5)6)20(10-4)13-11-12-19(8-2)9-3/h16-18H,7-15H2,1-6H3.
What are the key properties of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine?
2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine has a molecular weight of 285.52 g/mol, XLogP of 3.06, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 102997666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).