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

C12H29N3 — CID 103189525

IUPAC1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine
SMILESCCC(N)CCN(CC)C(C)CN(C)C
InChIInChI=1S/C12H29N3/c1-6-12(13)8-9-15(7-2)11(3)10-14(4)5/h11-12H,6-10,13H2,1-5H3
InChIKeyUTAYWRDHUPENOJ-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.39
Rot. Bonds8

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

1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine (PubChem CID 103189525) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine
PubChem CID103189525
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine
SMILESCCC(N)CCN(CC)C(C)CN(C)C
InChIInChI=1S/C12H29N3/c1-6-12(13)8-9-15(7-2)11(3)10-14(4)5/h11-12H,6-10,13H2,1-5H3
InChIKeyUTAYWRDHUPENOJ-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine
CID 103189553
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine
CID 103188341
(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-ethylpropane-1,2-diamine
CID 103188353
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
N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine
CID 103189603
1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
CID 103191368
2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190646

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine?
The IUPAC name of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine (CID 103189525) is 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine is CCC(N)CCN(CC)C(C)CN(C)C.
What is the InChIKey of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine?
The InChIKey is UTAYWRDHUPENOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-6-12(13)8-9-15(7-2)11(3)10-14(4)5/h11-12H,6-10,13H2,1-5H3.
What are the key properties of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine?
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.39, 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-ethylpentane-1,3-diamine is sourced from PubChem (CID 103189525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).