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

C13H31N3 — CID 103189553

IUPAC1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine
SMILESCCCC(N)CCN(CC)C(C)CN(C)C
InChIInChI=1S/C13H31N3/c1-6-8-13(14)9-10-16(7-2)12(3)11-15(4)5/h12-13H,6-11,14H2,1-5H3
InChIKeyFIWVWMYKQOJUER-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.78
Rot. Bonds9

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

1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine (PubChem CID 103189553) 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-ethylhexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine
PubChem CID103189553
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine
SMILESCCCC(N)CCN(CC)C(C)CN(C)C
InChIInChI=1S/C13H31N3/c1-6-8-13(14)9-10-16(7-2)12(3)11-15(4)5/h12-13H,6-11,14H2,1-5H3
InChIKeyFIWVWMYKQOJUER-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine
CID 103189525
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-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine
CID 103188341
2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190643
N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine
CID 103187905
1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol
CID 103191453
3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol
CID 103192376
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide
CID 103190946
1-N,1-N-dimethyloctane-1,5-diamine
CID 118262358
1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
CID 103191368
(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine
CID 130522075

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine?
The IUPAC name of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine (CID 103189553) is 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine?
The canonical SMILES for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine is CCCC(N)CCN(CC)C(C)CN(C)C.
What is the InChIKey of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine?
The InChIKey is FIWVWMYKQOJUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-6-8-13(14)9-10-16(7-2)12(3)11-15(4)5/h12-13H,6-11,14H2,1-5H3.
What are the key properties of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine?
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.78, 9 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-ethylhexane-1,3-diamine is sourced from PubChem (CID 103189553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).