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

C12H29N3 — CID 103188497

IUPAC3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine
SMILESCCN(C(C)CN(C)C)C(C)C(C)NC
InChIInChI=1S/C12H29N3/c1-8-15(10(2)9-14(6)7)12(4)11(3)13-5/h10-13H,8-9H2,1-7H3
InChIKeyTZAPZQUQHLNFHD-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.25
Rot. Bonds7

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

3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine (PubChem CID 103188497) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine.

Molecular Properties

Compound Name3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine
PubChem CID103188497
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine
SMILESCCN(C(C)CN(C)C)C(C)C(C)NC
InChIInChI=1S/C12H29N3/c1-8-15(10(2)9-14(6)7)12(4)11(3)13-5/h10-13H,8-9H2,1-7H3
InChIKeyTZAPZQUQHLNFHD-UHFFFAOYSA-N
XLogP1.25
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Triethylethylenediamine
CID 66040
1,2-Ethanediamine, N1,N1-bis(1-methylethyl)-
CID 8459
N-Isopropylethylenediamine
CID 88098
DI-Sec-butylamine
CID 12277
N-ethylbis(2-ethylaminoethyl)amine
CID 66931
N,N'-Diisopropylethylenediamine
CID 77628
1-Isopropylpiperazine
CID 78013
N,N'-Diisopropyl-1,3-propanediamine
CID 144018
1,7-DI-(Sec.-butyl)-diethylenetriamine
CID 292506
N'-(2-Diethylaminoethyl)ethane-1,2-diamine
CID 90497
1,1,7,7-Tetramethyldiethylenetriamine
CID 97514
2-Amino-1-dimethylaminopropane
CID 99027

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine?
The IUPAC name of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine (CID 103188497) is 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine.
What is the SMILES notation for 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine?
The canonical SMILES for 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine is CCN(C(C)CN(C)C)C(C)C(C)NC.
What is the InChIKey of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine?
The InChIKey is TZAPZQUQHLNFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-8-15(10(2)9-14(6)7)12(4)11(3)13-5/h10-13H,8-9H2,1-7H3.
What are the key properties of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine?
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-2-N-methylbutane-2,3-diamine is sourced from PubChem (CID 103188497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).