molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine

C8H22N2 — CID 176920896

IUPACmolecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine
SMILESCCC[C@H](CN(C)C)NC.[H][H]
InChIInChI=1S/C8H20N2.H2/c1-5-6-8(9-2)7-10(3)4;/h8-9H,5-7H2,1-4H3;1H/t8-;/m1./s1
InChIKeyCLZRMXQJEPQACA-DDWIOCJRSA-N
MW146.28 g/mol
LogP1.18
Rot. Bonds5

About molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine

molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine (PubChem CID 176920896) has the molecular formula C8H22N2 and a molecular weight of 146.28 g/mol. Its IUPAC name is molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Namemolecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine
PubChem CID176920896
Molecular FormulaC8H22N2
Molecular Weight146.28 g/mol
Exact Mass146.18
IUPAC Namemolecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine
SMILESCCC[C@H](CN(C)C)NC.[H][H]
InChIInChI=1S/C8H20N2.H2/c1-5-6-8(9-2)7-10(3)4;/h8-9H,5-7H2,1-4H3;1H/t8-;/m1./s1
InChIKeyCLZRMXQJEPQACA-DDWIOCJRSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 78953
1,7-DI-(Sec.-butyl)-diethylenetriamine
CID 292506
N,N,N'-Triisopropylethylenediamine
CID 66797
Pentyl(propan-2-yl)amine
CID 3015838
trans-N,N'-dimethyl-1,2-cyclohexanediamine
CID 2733821
N-Hexylethylenediamine
CID 3345103
(1R,2R)-N1,N1-Dimethylcyclohexane-1,2-diamine
CID 11275066
8-MeS8-methylspermidine
CID 53363065
N,N'-Bis(2-pentyl)-ethylenediamine
CID 42677
1,2-Ethanediamine, N,N'-bis(1-methylpropyl)-
CID 469901
N,N'-Di-n-pentyl-ethylenediamine
CID 469902
N,N'-Bis(3-pentyl)-ethylenediamine
CID 469903

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine?
The IUPAC name of molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine (CID 176920896) is molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine.
What is the SMILES notation for molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine?
The canonical SMILES for molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine is CCC[C@H](CN(C)C)NC.[H][H].
What is the InChIKey of molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine?
The InChIKey is CLZRMXQJEPQACA-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H20N2.H2/c1-5-6-8(9-2)7-10(3)4;/h8-9H,5-7H2,1-4H3;1H/t8-;/m1./s1.
What are the key properties of molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine?
molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine has a molecular weight of 146.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine is sourced from PubChem (CID 176920896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).