N,6-Dimethylheptan-2-amine--hydrogen chloride (1/1)

C9H22ClN — CID 44696

IUPACmethyl(6-methylheptan-2-yl)azanium chloride
SMILESCC(C)CCCC(C)[NH2+]C.[Cl-]
InChIInChI=1S/C9H21N.ClH/c1-8(2)6-5-7-9(3)10-4;/h8-10H,5-7H2,1-4H3;1H
InChIKeyRMIIQPXKMFYFPI-UHFFFAOYSA-N
MW179.73 g/mol
LogP—
Rot. Bonds5

About N,6-Dimethylheptan-2-amine--hydrogen chloride (1/1)

N,6-Dimethylheptan-2-amine--hydrogen chloride (1/1) (PubChem CID 44696) has the molecular formula C9H22ClN and a molecular weight of 179.73 g/mol. Its IUPAC name is methyl(6-methylheptan-2-yl)azanium chloride.

Molecular Properties

Compound NameN,6-Dimethylheptan-2-amine--hydrogen chloride (1/1)
PubChem CID44696
Molecular FormulaC9H22ClN
Molecular Weight179.73 g/mol
Exact Mass179.14
IUPAC Namemethyl(6-methylheptan-2-yl)azanium chloride
SMILESCC(C)CCCC(C)[NH2+]C.[Cl-]
InChIInChI=1S/C9H21N.ClH/c1-8(2)6-5-7-9(3)10-4;/h8-10H,5-7H2,1-4H3;1H
InChIKeyRMIIQPXKMFYFPI-UHFFFAOYSA-N
XLogP—
TPSA16.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity69

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,6-Dimethylheptan-2-amine--hydrogen chloride (1/1)?
The IUPAC name of N,6-Dimethylheptan-2-amine--hydrogen chloride (1/1) (CID 44696) is methyl(6-methylheptan-2-yl)azanium chloride.
What is the SMILES notation for N,6-Dimethylheptan-2-amine--hydrogen chloride (1/1)?
The canonical SMILES for N,6-Dimethylheptan-2-amine--hydrogen chloride (1/1) is CC(C)CCCC(C)[NH2+]C.[Cl-].
What is the InChIKey of N,6-Dimethylheptan-2-amine--hydrogen chloride (1/1)?
The InChIKey is RMIIQPXKMFYFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.ClH/c1-8(2)6-5-7-9(3)10-4;/h8-10H,5-7H2,1-4H3;1H.
What are the key properties of N,6-Dimethylheptan-2-amine--hydrogen chloride (1/1)?
N,6-Dimethylheptan-2-amine--hydrogen chloride (1/1) has a molecular weight of 179.73 g/mol, XLogP of not available, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-Dimethylheptan-2-amine--hydrogen chloride (1/1) is sourced from PubChem (CID 44696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).