N',N'-dimethylheptane-1,7-diamine

C9H22N2 — CID 3822076

IUPACN',N'-dimethylheptane-1,7-diamine
SMILESCN(C)CCCCCCCN
InChIInChI=1S/C9H22N2/c1-11(2)9-7-5-3-4-6-8-10/h3-10H2,1-2H3
InChIKeyOXAUQAUWLUANLY-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.46
Rot. Bonds7

About N',N'-dimethylheptane-1,7-diamine

N',N'-dimethylheptane-1,7-diamine (PubChem CID 3822076) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N',N'-dimethylheptane-1,7-diamine.

Molecular Properties

Compound NameN',N'-dimethylheptane-1,7-diamine
PubChem CID3822076
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN',N'-dimethylheptane-1,7-diamine
SMILESCN(C)CCCCCCCN
InChIInChI=1S/C9H22N2/c1-11(2)9-7-5-3-4-6-8-10/h3-10H2,1-2H3
InChIKeyOXAUQAUWLUANLY-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.46
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'-dimethylpentane-1,5-diamine
CID 3465925
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'-dimethylheptane-1,7-diamine?
The IUPAC name of N',N'-dimethylheptane-1,7-diamine (CID 3822076) is N',N'-dimethylheptane-1,7-diamine.
What is the SMILES notation for N',N'-dimethylheptane-1,7-diamine?
The canonical SMILES for N',N'-dimethylheptane-1,7-diamine is CN(C)CCCCCCCN.
What is the InChIKey of N',N'-dimethylheptane-1,7-diamine?
The InChIKey is OXAUQAUWLUANLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-11(2)9-7-5-3-4-6-8-10/h3-10H2,1-2H3.
What are the key properties of N',N'-dimethylheptane-1,7-diamine?
N',N'-dimethylheptane-1,7-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethylheptane-1,7-diamine is sourced from PubChem (CID 3822076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).