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

C11H27N3 — CID 103188341

IUPAC1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine
SMILESCCC(N)CN(CC)C(C)CN(C)C
InChIInChI=1S/C11H27N3/c1-6-11(12)9-14(7-2)10(3)8-13(4)5/h10-11H,6-9,12H2,1-5H3
InChIKeyVPTBLDMIXMTQAG-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.00
Rot. Bonds7

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

1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine (PubChem CID 103188341) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine
PubChem CID103188341
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Name1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine
SMILESCCC(N)CN(CC)C(C)CN(C)C
InChIInChI=1S/C11H27N3/c1-6-11(12)9-14(7-2)10(3)8-13(4)5/h10-11H,6-9,12H2,1-5H3
InChIKeyVPTBLDMIXMTQAG-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-ethylpentane-1,3-diamine
CID 103189525
N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine
CID 103189603
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine
CID 103189553
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
CID 103188911
2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide
CID 103189022
N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine
CID 103187905
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine
CID 103188488
3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol
CID 103192376
1-[1-(dimethylamino)propan-2-yl-ethylamino]-3-(methylamino)propan-2-ol
CID 103188299
(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 143518615

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine?
The IUPAC name of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine (CID 103188341) is 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine is CCC(N)CN(CC)C(C)CN(C)C.
What is the InChIKey of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine?
The InChIKey is VPTBLDMIXMTQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-6-11(12)9-14(7-2)10(3)8-13(4)5/h10-11H,6-9,12H2,1-5H3.
What are the key properties of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine?
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine has a molecular weight of 201.36 g/mol, XLogP of 1.00, 7 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-ethylbutane-1,2-diamine is sourced from PubChem (CID 103188341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).