N,N'-dimethylhexane-1,6-diamine;hydrochloride

C8H21ClN2 — CID 154634683

IUPACN,N'-dimethylhexane-1,6-diamine;hydrochloride
SMILESCNCCCCCCNC.Cl
InChIInChI=1S/C8H20N2.ClH/c1-9-7-5-3-4-6-8-10-2;/h9-10H,3-8H2,1-2H3;1H
InChIKeyUQKOPSPMRYDCCQ-UHFFFAOYSA-N
MW180.72 g/mol
LogP1.41
Rot. Bonds7

About N,N'-dimethylhexane-1,6-diamine;hydrochloride

N,N'-dimethylhexane-1,6-diamine;hydrochloride (PubChem CID 154634683) has the molecular formula C8H21ClN2 and a molecular weight of 180.72 g/mol. Its IUPAC name is N,N'-dimethylhexane-1,6-diamine;hydrochloride.

Molecular Properties

Compound NameN,N'-dimethylhexane-1,6-diamine;hydrochloride
PubChem CID154634683
Molecular FormulaC8H21ClN2
Molecular Weight180.72 g/mol
Exact Mass180.14
IUPAC NameN,N'-dimethylhexane-1,6-diamine;hydrochloride
SMILESCNCCCCCCNC.Cl
InChIInChI=1S/C8H20N2.ClH/c1-9-7-5-3-4-6-8-10-2;/h9-10H,3-8H2,1-2H3;1H
InChIKeyUQKOPSPMRYDCCQ-UHFFFAOYSA-N
XLogP1.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.72
LogP ≤ 51.41
H-Bond Donors ≤ 52
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'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
N-methyltriacontan-1-amine
CID 19840895
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
7-chloro-N-methylheptan-1-amine
CID 55301648
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
N-methyl-5-methylsulfanylpentan-1-amine
CID 58719975
hydroxylamine;N-methyloctan-1-amine
CID 144676839
N,6-dimethylheptan-1-amine;ethane
CID 169159475
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
4-iodo-N-methylbutan-1-amine
CID 88529413
3-iodo-N-methylpropan-1-amine;hydrochloride
CID 86252305

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylhexane-1,6-diamine;hydrochloride?
The IUPAC name of N,N'-dimethylhexane-1,6-diamine;hydrochloride (CID 154634683) is N,N'-dimethylhexane-1,6-diamine;hydrochloride.
What is the SMILES notation for N,N'-dimethylhexane-1,6-diamine;hydrochloride?
The canonical SMILES for N,N'-dimethylhexane-1,6-diamine;hydrochloride is CNCCCCCCNC.Cl.
What is the InChIKey of N,N'-dimethylhexane-1,6-diamine;hydrochloride?
The InChIKey is UQKOPSPMRYDCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.ClH/c1-9-7-5-3-4-6-8-10-2;/h9-10H,3-8H2,1-2H3;1H.
What are the key properties of N,N'-dimethylhexane-1,6-diamine;hydrochloride?
N,N'-dimethylhexane-1,6-diamine;hydrochloride has a molecular weight of 180.72 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylhexane-1,6-diamine;hydrochloride is sourced from PubChem (CID 154634683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).