2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine

C17H39N3 — CID 102992527

IUPAC2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine
SMILESCCCNC(CC)C(C)N(CC)CCCN(CC)CC
InChIInChI=1S/C17H39N3/c1-7-13-18-17(8-2)16(6)20(11-5)15-12-14-19(9-3)10-4/h16-18H,7-15H2,1-6H3
InChIKeyFIRDBYRVUNXYQF-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.21
Rot. Bonds13

About 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine

2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine (PubChem CID 102992527) 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-3-N-propylpentane-2,3-diamine.

Molecular Properties

Compound Name2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine
PubChem CID102992527
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC Name2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine
SMILESCCCNC(CC)C(C)N(CC)CCCN(CC)CC
InChIInChI=1S/C17H39N3/c1-7-13-18-17(8-2)16(6)20(11-5)15-12-14-19(9-3)10-4/h16-18H,7-15H2,1-6H3
InChIKeyFIRDBYRVUNXYQF-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine
CID 102992540
1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine
CID 107896692
1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine
CID 102997720
1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine
CID 102997683
2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 102997666
2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine
CID 63983796
N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997904
3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide
CID 102996641
2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine
CID 102997714
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
4-ethyl-5-methyl-N-propylhexan-3-amine
CID 79307988
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine?
The IUPAC name of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine (CID 102992527) is 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine.
What is the SMILES notation for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine?
The canonical SMILES for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine is CCCNC(CC)C(C)N(CC)CCCN(CC)CC.
What is the InChIKey of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine?
The InChIKey is FIRDBYRVUNXYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-7-13-18-17(8-2)16(6)20(11-5)15-12-14-19(9-3)10-4/h16-18H,7-15H2,1-6H3.
What are the key properties of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine?
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine has a molecular weight of 285.52 g/mol, XLogP of 3.21, 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-3-N-propylpentane-2,3-diamine is sourced from PubChem (CID 102992527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).