azane;N,N',N'-trimethylhexane-1,6-diamine

C9H28N4 — CID 23104245

IUPACazane;N,N',N'-trimethylhexane-1,6-diamine
SMILESCNCCCCCCN(C)C.N.N
InChIInChI=1S/C9H22N2.2H3N/c1-10-8-6-4-5-7-9-11(2)3;;/h10H,4-9H2,1-3H3;2*1H3
InChIKeyRZOXNNJXIBNQBI-UHFFFAOYSA-N
MW192.35 g/mol
LogP1.65
Rot. Bonds7

About azane;N,N',N'-trimethylhexane-1,6-diamine

azane;N,N',N'-trimethylhexane-1,6-diamine (PubChem CID 23104245) has the molecular formula C9H28N4 and a molecular weight of 192.35 g/mol. Its IUPAC name is azane;N,N',N'-trimethylhexane-1,6-diamine.

Molecular Properties

Compound Nameazane;N,N',N'-trimethylhexane-1,6-diamine
PubChem CID23104245
Molecular FormulaC9H28N4
Molecular Weight192.35 g/mol
Exact Mass192.23
IUPAC Nameazane;N,N',N'-trimethylhexane-1,6-diamine
SMILESCNCCCCCCN(C)C.N.N
InChIInChI=1S/C9H22N2.2H3N/c1-10-8-6-4-5-7-9-11(2)3;;/h10H,4-9H2,1-3H3;2*1H3
InChIKeyRZOXNNJXIBNQBI-UHFFFAOYSA-N
XLogP1.65
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
CID 137019099
CID 137019099
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine
CID 58806980

Frequently Asked Questions

What is the IUPAC name of azane;N,N',N'-trimethylhexane-1,6-diamine?
The IUPAC name of azane;N,N',N'-trimethylhexane-1,6-diamine (CID 23104245) is azane;N,N',N'-trimethylhexane-1,6-diamine.
What is the SMILES notation for azane;N,N',N'-trimethylhexane-1,6-diamine?
The canonical SMILES for azane;N,N',N'-trimethylhexane-1,6-diamine is CNCCCCCCN(C)C.N.N.
What is the InChIKey of azane;N,N',N'-trimethylhexane-1,6-diamine?
The InChIKey is RZOXNNJXIBNQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2.2H3N/c1-10-8-6-4-5-7-9-11(2)3;;/h10H,4-9H2,1-3H3;2*1H3.
What are the key properties of azane;N,N',N'-trimethylhexane-1,6-diamine?
azane;N,N',N'-trimethylhexane-1,6-diamine has a molecular weight of 192.35 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N,N',N'-trimethylhexane-1,6-diamine is sourced from PubChem (CID 23104245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).