(2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine

C13H31N3 — CID 143359866

IUPAC(2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine
SMILESCN[C@H](CN(C)CCCN(C)C)C(C)(C)C
InChIInChI=1S/C13H31N3/c1-13(2,3)12(14-4)11-16(7)10-8-9-15(5)6/h12,14H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyVNTKQFVYVOGROM-GFCCVEGCSA-N
MW229.41 g/mol
LogP1.50
Rot. Bonds7

About (2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine

(2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine (PubChem CID 143359866) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is (2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine
PubChem CID143359866
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name(2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine
SMILESCN[C@H](CN(C)CCCN(C)C)C(C)(C)C
InChIInChI=1S/C13H31N3/c1-13(2,3)12(14-4)11-16(7)10-8-9-15(5)6/h12,14H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyVNTKQFVYVOGROM-GFCCVEGCSA-N
XLogP1.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63699837
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol
CID 63700199
N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide
CID 89050454
3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol
CID 22058011
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine;trihydrochloride
CID 131875706
1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 63275561
1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine
CID 62623709
2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine
CID 65384160
N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine
CID 63699668
1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63726325
1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine
CID 82965564

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine?
The IUPAC name of (2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine (CID 143359866) is (2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine?
The canonical SMILES for (2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine is CN[C@H](CN(C)CCCN(C)C)C(C)(C)C.
What is the InChIKey of (2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine?
The InChIKey is VNTKQFVYVOGROM-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H31N3/c1-13(2,3)12(14-4)11-16(7)10-8-9-15(5)6/h12,14H,8-11H2,1-7H3/t12-/m1/s1.
What are the key properties of (2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine?
(2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[3-(dimethylamino)propyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine is sourced from PubChem (CID 143359866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).