1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine

C13H31N3 — CID 103188488

IUPAC1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine
SMILESCCN(CC(NC)C(C)C)C(C)CN(C)C
InChIInChI=1S/C13H31N3/c1-8-16(12(4)9-15(6)7)10-13(14-5)11(2)3/h11-14H,8-10H2,1-7H3
InChIKeyGEUAZJPFIAOAIV-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.50
Rot. Bonds8

About 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine

1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine (PubChem CID 103188488) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine
PubChem CID103188488
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine
SMILESCCN(CC(NC)C(C)C)C(C)CN(C)C
InChIInChI=1S/C13H31N3/c1-8-16(12(4)9-15(6)7)10-13(14-5)11(2)3/h11-14H,8-10H2,1-7H3
InChIKeyGEUAZJPFIAOAIV-UHFFFAOYSA-N
XLogP1.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 107505986
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188353
(2R)-1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188351
1-[1-(dimethylamino)propan-2-yl-ethylamino]-3-(methylamino)propan-2-ol
CID 103188299
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine
CID 103188341
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
CID 103188911
N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine
CID 103189603
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 103191300
2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190646
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide
CID 103190946
3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol
CID 103192376
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine
CID 103188497

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine (CID 103188488) is 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine is CCN(CC(NC)C(C)C)C(C)CN(C)C.
What is the InChIKey of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine?
The InChIKey is GEUAZJPFIAOAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-8-16(12(4)9-15(6)7)10-13(14-5)11(2)3/h11-14H,8-10H2,1-7H3.
What are the key properties of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine?
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 103188488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).