1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine

C13H31N3 — CID 102992396

IUPAC1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine
SMILESCCNC(CC)CN(CC)CCCN(C)C
InChIInChI=1S/C13H31N3/c1-6-13(14-7-2)12-16(8-3)11-9-10-15(4)5/h13-14H,6-12H2,1-5H3
InChIKeyYFODMGPJHJQCGQ-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.65
Rot. Bonds10

About 1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine

1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine (PubChem CID 102992396) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine
PubChem CID102992396
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine
SMILESCCNC(CC)CN(CC)CCCN(C)C
InChIInChI=1S/C13H31N3/c1-6-13(14-7-2)12-16(8-3)11-9-10-15(4)5/h13-14H,6-12H2,1-5H3
InChIKeyYFODMGPJHJQCGQ-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)propanoate
CID 102996557
4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol
CID 102992320
1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
CID 63954939
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine
CID 62040977
1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
CID 107397983
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799873
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903
N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997759
1-N-(2-ethoxyethyl)-1-N-ethyl-2-N-propylbutane-1,2-diamine
CID 63696660
N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine
CID 102994226
N'-ethyl-N,N-dimethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997818

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine (CID 102992396) is 1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine is CCNC(CC)CN(CC)CCCN(C)C.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine?
The InChIKey is YFODMGPJHJQCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-6-13(14-7-2)12-16(8-3)11-9-10-15(4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of 1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine?
1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine is sourced from PubChem (CID 102992396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).