N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine

C15H35N3 — CID 57013062

IUPACN'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
SMILESCNCCCCCCNCCCCCCN(C)C
InChIInChI=1S/C15H35N3/c1-16-12-8-4-5-9-13-17-14-10-6-7-11-15-18(2)3/h16-17H,4-15H2,1-3H3
InChIKeyOPEILFNVZHLMOZ-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.48
Rot. Bonds14

About N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine

N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine (PubChem CID 57013062) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
PubChem CID57013062
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC NameN'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
SMILESCNCCCCCCNCCCCCCN(C)C
InChIInChI=1S/C15H35N3/c1-16-12-8-4-5-9-13-17-14-10-6-7-11-15-18(2)3/h16-17H,4-15H2,1-3H3
InChIKeyOPEILFNVZHLMOZ-UHFFFAOYSA-N
XLogP2.48
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994
N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine
CID 107845044

Frequently Asked Questions

What is the IUPAC name of N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine?
The IUPAC name of N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine (CID 57013062) is N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine.
What is the SMILES notation for N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine?
The canonical SMILES for N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine is CNCCCCCCNCCCCCCN(C)C.
What is the InChIKey of N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine?
The InChIKey is OPEILFNVZHLMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3/c1-16-12-8-4-5-9-13-17-14-10-6-7-11-15-18(2)3/h16-17H,4-15H2,1-3H3.
What are the key properties of N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine?
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine has a molecular weight of 257.47 g/mol, XLogP of 2.48, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine is sourced from PubChem (CID 57013062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).