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

C12H29N3 — CID 103189603

IUPACN'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine
SMILESCCC(CN)CN(CC)C(C)CN(C)C
InChIInChI=1S/C12H29N3/c1-6-12(8-13)10-15(7-2)11(3)9-14(4)5/h11-12H,6-10,13H2,1-5H3
InChIKeyKAZFMMHBKIOLPL-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.24
Rot. Bonds8

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

N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine (PubChem CID 103189603) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine
PubChem CID103189603
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine
SMILESCCC(CN)CN(CC)C(C)CN(C)C
InChIInChI=1S/C12H29N3/c1-6-12(8-13)10-15(7-2)11(3)9-14(4)5/h11-12H,6-10,13H2,1-5H3
InChIKeyKAZFMMHBKIOLPL-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine
CID 103188341
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
N',2-diethyl-N'-methylpropane-1,3-diamine;propane
CID 142151966
2-ethyl-N',N',4-trimethylpentane-1,5-diamine
CID 170202582
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-ethylpentane-1,3-diamine
CID 103189525
2-ethyl-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82951118
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
CID 103188911
2-N-ethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 61436765
2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine
CID 61437108

Frequently Asked Questions

What is the IUPAC name of N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine?
The IUPAC name of N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine (CID 103189603) is N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine is CCC(CN)CN(CC)C(C)CN(C)C.
What is the InChIKey of N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine?
The InChIKey is KAZFMMHBKIOLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-6-12(8-13)10-15(7-2)11(3)9-14(4)5/h11-12H,6-10,13H2,1-5H3.
What are the key properties of N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine?
N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine is sourced from PubChem (CID 103189603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).