molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine

C7H20N2 — CID 176566866

IUPACmolecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine
SMILESCC[C@@H](CN(C)C)NC.[H][H]
InChIInChI=1S/C7H18N2.H2/c1-5-7(8-2)6-9(3)4;/h7-8H,5-6H2,1-4H3;1H/t7-;/m0./s1
InChIKeyHZLAZTQELVUZOJ-FJXQXJEOSA-N
MW132.25 g/mol
LogP0.79
Rot. Bonds4

About molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine

molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine (PubChem CID 176566866) has the molecular formula C7H20N2 and a molecular weight of 132.25 g/mol. Its IUPAC name is molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Namemolecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine
PubChem CID176566866
Molecular FormulaC7H20N2
Molecular Weight132.25 g/mol
Exact Mass132.16
IUPAC Namemolecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine
SMILESCC[C@@H](CN(C)C)NC.[H][H]
InChIInChI=1S/C7H18N2.H2/c1-5-7(8-2)6-9(3)4;/h7-8H,5-6H2,1-4H3;1H/t7-;/m0./s1
InChIKeyHZLAZTQELVUZOJ-FJXQXJEOSA-N
XLogP0.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,7-DI-(Sec.-butyl)-diethylenetriamine
CID 292506
1,2-Propanediamine, N2,N2-dimethyl-
CID 89217
2-Amino-1-dimethylaminopropane
CID 99027
N-(2-aminopropyl)propane-1,2-diamine
CID 96199
N-Butylethylenediamine
CID 519668
N,N,N'-Triisopropylethylenediamine
CID 66797
N,N'-Bis(2-pentyl)-ethylenediamine
CID 42677
1,2-Ethanediamine, N,N'-bis(1-methylpropyl)-
CID 469901
N~1~-(Butan-2-yl)-N~2~-(propan-2-yl)ethane-1,2-diamine
CID 469912
N-Propyl-N'-isopropylethylenediamine
CID 469913
N,N'-Diisopropyl-N-methyl-ethylenediamine
CID 469917
N1,N2-Diisopropyl-1,2-propanediamine
CID 469929

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine?
The IUPAC name of molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine (CID 176566866) is molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine.
What is the SMILES notation for molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine?
The canonical SMILES for molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine is CC[C@@H](CN(C)C)NC.[H][H].
What is the InChIKey of molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine?
The InChIKey is HZLAZTQELVUZOJ-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H18N2.H2/c1-5-7(8-2)6-9(3)4;/h7-8H,5-6H2,1-4H3;1H/t7-;/m0./s1.
What are the key properties of molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine?
molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine has a molecular weight of 132.25 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine is sourced from PubChem (CID 176566866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).