(2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine

C8H20N2 — CID 130522150

IUPAC(2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
SMILESCCNC[C@@H](N)C(C)(C)C
InChIInChI=1S/C8H20N2/c1-5-10-6-7(9)8(2,3)4/h7,10H,5-6,9H2,1-4H3/t7-/m1/s1
InChIKeyLMTBLGDAYZGDNO-SSDOTTSWSA-N
MW144.26 g/mol
LogP0.97
Rot. Bonds3

About (2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine

(2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine (PubChem CID 130522150) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
PubChem CID130522150
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name(2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
SMILESCCNC[C@@H](N)C(C)(C)C
InChIInChI=1S/C8H20N2/c1-5-10-6-7(9)8(2,3)4/h7,10H,5-6,9H2,1-4H3/t7-/m1/s1
InChIKeyLMTBLGDAYZGDNO-SSDOTTSWSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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 (2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine?
The IUPAC name of (2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine (CID 130522150) is (2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine?
The canonical SMILES for (2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine is CCNC[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine?
The InChIKey is LMTBLGDAYZGDNO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H20N2/c1-5-10-6-7(9)8(2,3)4/h7,10H,5-6,9H2,1-4H3/t7-/m1/s1.
What are the key properties of (2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine?
(2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 130522150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).