N',N'-dimethylpentane-1,5-diamine

C7H18N2 — CID 3465925

IUPACN',N'-dimethylpentane-1,5-diamine
SMILESCN(C)CCCCCN
InChIInChI=1S/C7H18N2/c1-9(2)7-5-3-4-6-8/h3-8H2,1-2H3
InChIKeyZQEQANWXEQSAGL-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.68
Rot. Bonds5

About N',N'-dimethylpentane-1,5-diamine

N',N'-dimethylpentane-1,5-diamine (PubChem CID 3465925) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is N',N'-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN',N'-dimethylpentane-1,5-diamine
PubChem CID3465925
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC NameN',N'-dimethylpentane-1,5-diamine
SMILESCN(C)CCCCCN
InChIInChI=1S/C7H18N2/c1-9(2)7-5-3-4-6-8/h3-8H2,1-2H3
InChIKeyZQEQANWXEQSAGL-UHFFFAOYSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethylicosane-1,20-diamine
CID 54351766
N',N'-dimethylheptane-1,7-diamine
CID 3822076
N',N'-dimethylbutane-1,4-diamine;silane
CID 162130960
bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
CID 173033128
N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine
CID 87642302
N',N'-dimethylpropane-1,3-diamine;docosane
CID 174425037
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine
CID 88621765
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethylpentane-1,5-diamine?
The IUPAC name of N',N'-dimethylpentane-1,5-diamine (CID 3465925) is N',N'-dimethylpentane-1,5-diamine.
What is the SMILES notation for N',N'-dimethylpentane-1,5-diamine?
The canonical SMILES for N',N'-dimethylpentane-1,5-diamine is CN(C)CCCCCN.
What is the InChIKey of N',N'-dimethylpentane-1,5-diamine?
The InChIKey is ZQEQANWXEQSAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-9(2)7-5-3-4-6-8/h3-8H2,1-2H3.
What are the key properties of N',N'-dimethylpentane-1,5-diamine?
N',N'-dimethylpentane-1,5-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethylpentane-1,5-diamine is sourced from PubChem (CID 3465925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).