1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine

C12H29N3 — CID 135040342

IUPAC1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine
SMILESCC(C)(C)C(N)CNCC(N)C(C)(C)C
InChIInChI=1S/C12H29N3/c1-11(2,3)9(13)7-15-8-10(14)12(4,5)6/h9-10,15H,7-8,13-14H2,1-6H3
InChIKeyWSTZTMWLFHQUDB-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.32
Rot. Bonds4

About 1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine

1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine (PubChem CID 135040342) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine
PubChem CID135040342
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine
SMILESCC(C)(C)C(N)CNCC(N)C(C)(C)C
InChIInChI=1S/C12H29N3/c1-11(2,3)9(13)7-15-8-10(14)12(4,5)6/h9-10,15H,7-8,13-14H2,1-6H3
InChIKeyWSTZTMWLFHQUDB-UHFFFAOYSA-N
XLogP1.32
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-DI-(Sec.-butyl)-diethylenetriamine
CID 292506
1,2-Ethanediamine, N,N'-bis(1-methylpropyl)-
CID 469901
1,2-Propanediamine, N(sup 2)-butyl-2-methyl-
CID 3039391
[(2S)-2-amino-3,3-dimethylbutyl]dimethylamine
CID 30428933
N,N'-Bis(2-pentyl)-ethylenediamine
CID 42677
N,N'-Bis(2,4,4-trimethyl-2-pentyl)-ethylenediamine
CID 223882
N,N'-Bis(2-methyl-2-butyl)-ethylenediamine
CID 469905
N~1~-(Butan-2-yl)-N~2~-(propan-2-yl)ethane-1,2-diamine
CID 469912
N-Propyl-N'-isopropylethylenediamine
CID 469913
N'-(1,1-dimethylpropyl)-N-isopropyl-ethane-1,2-diamine
CID 469914
N1,N2-Diisopropyl-1,2-propanediamine
CID 469929
N,N'-Diisopropyl-2,3-butane-diamine
CID 469931

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine (CID 135040342) is 1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine is CC(C)(C)C(N)CNCC(N)C(C)(C)C.
What is the InChIKey of 1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine?
The InChIKey is WSTZTMWLFHQUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-11(2,3)9(13)7-15-8-10(14)12(4,5)6/h9-10,15H,7-8,13-14H2,1-6H3.
What are the key properties of 1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine?
1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 135040342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).