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

C16H37N3 — CID 102992540

IUPAC3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(C)C(C)N(CC)CCCN(CC)CC
InChIInChI=1S/C16H37N3/c1-7-12-17-15(5)16(6)19(10-4)14-11-13-18(8-2)9-3/h15-17H,7-14H2,1-6H3
InChIKeyABIPSQMZIKJHHU-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.82
Rot. Bonds12

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

3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine (PubChem CID 102992540) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine.

Molecular Properties

Compound Name3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine
PubChem CID102992540
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC Name3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(C)C(C)N(CC)CCCN(CC)CC
InChIInChI=1S/C16H37N3/c1-7-12-17-15(5)16(6)19(10-4)14-11-13-18(8-2)9-3/h15-17H,7-14H2,1-6H3
InChIKeyABIPSQMZIKJHHU-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine
CID 102992527
N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997904
1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine
CID 102997683
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 102997666
1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine
CID 102997720
N'-ethyl-N,N-dimethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997818
4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine
CID 64708204
3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide
CID 102996641
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
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

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine?
The IUPAC name of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine (CID 102992540) is 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine.
What is the SMILES notation for 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine?
The canonical SMILES for 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine is CCCNC(C)C(C)N(CC)CCCN(CC)CC.
What is the InChIKey of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine?
The InChIKey is ABIPSQMZIKJHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c1-7-12-17-15(5)16(6)19(10-4)14-11-13-18(8-2)9-3/h15-17H,7-14H2,1-6H3.
What are the key properties of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine?
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine has a molecular weight of 271.49 g/mol, XLogP of 2.82, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine is sourced from PubChem (CID 102992540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).