1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen

C7H22N2 — CID 171489835

IUPAC1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen
SMILESCCCC(CNC)NC.[H][H].[H][H]
InChIInChI=1S/C7H18N2.2H2/c1-4-5-7(9-3)6-8-2;;/h7-9H,4-6H2,1-3H3;2*1H
InChIKeyCHFMHVSRVNFEDY-UHFFFAOYSA-N
MW134.27 g/mol
LogP1.09
Rot. Bonds5

About 1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen

1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen (PubChem CID 171489835) has the molecular formula C7H22N2 and a molecular weight of 134.27 g/mol. Its IUPAC name is 1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen.

Molecular Properties

Compound Name1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen
PubChem CID171489835
Molecular FormulaC7H22N2
Molecular Weight134.27 g/mol
Exact Mass134.18
IUPAC Name1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen
SMILESCCCC(CNC)NC.[H][H].[H][H]
InChIInChI=1S/C7H18N2.2H2/c1-4-5-7(9-3)6-8-2;;/h7-9H,4-6H2,1-3H3;2*1H
InChIKeyCHFMHVSRVNFEDY-UHFFFAOYSA-N
XLogP1.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-hydrazinyl-N-methylpentan-2-amine
CID 142902770
molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine
CID 176920896
N-methylundecan-4-amine
CID 60996531
5-(methylamino)octanoic acid
CID 116953071
1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine
CID 62044232
2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine
CID 116960751
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
2-methoxy-N,2-dimethylheptan-4-amine
CID 103024818
N-methyl-1-(2-methylpropoxy)pentan-2-amine
CID 62044307
N-methyl-6-methylideneoctan-4-amine
CID 66044817
N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine
CID 88915245
(2S)-3-(methylamino)-2-[[(2S)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol
CID 134314077

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen?
The IUPAC name of 1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen (CID 171489835) is 1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen.
What is the SMILES notation for 1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen?
The canonical SMILES for 1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen is CCCC(CNC)NC.[H][H].[H][H].
What is the InChIKey of 1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen?
The InChIKey is CHFMHVSRVNFEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2.2H2/c1-4-5-7(9-3)6-8-2;;/h7-9H,4-6H2,1-3H3;2*1H.
What are the key properties of 1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen?
1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen has a molecular weight of 134.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen is sourced from PubChem (CID 171489835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).