2-amino-4-methylhexan-1-ol;hydrochloride

C7H18ClNO — CID 55253854

IUPAC2-amino-4-methylhexan-1-ol;hydrochloride
SMILESCCC(C)CC(N)CO.Cl
InChIInChI=1S/C7H17NO.ClH/c1-3-6(2)4-7(8)5-9;/h6-7,9H,3-5,8H2,1-2H3;1H
InChIKeyQBEKNNSOMBEJRF-UHFFFAOYSA-N
MW167.68 g/mol
LogP1.16
Rot. Bonds4

About 2-amino-4-methylhexan-1-ol;hydrochloride

2-amino-4-methylhexan-1-ol;hydrochloride (PubChem CID 55253854) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is 2-amino-4-methylhexan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-4-methylhexan-1-ol;hydrochloride
PubChem CID55253854
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Name2-amino-4-methylhexan-1-ol;hydrochloride
SMILESCCC(C)CC(N)CO.Cl
InChIInChI=1S/C7H17NO.ClH/c1-3-6(2)4-7(8)5-9;/h6-7,9H,3-5,8H2,1-2H3;1H
InChIKeyQBEKNNSOMBEJRF-UHFFFAOYSA-N
XLogP1.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.68
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-methylpentane-1,5-diol
CID 72526972
(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
CID 54763066
(3S)-1-amino-3-methylpentan-1-ol
CID 89066496
(2S)-4-methylhexan-2-amine
CID 141201507
(2S)-2-amino-4-ethylheptan-1-ol
CID 145497284
4-methyl-1-propan-2-ylsulfanylhexan-2-amine
CID 65131873
3,7,9,9-tetramethyldecan-5-amine
CID 115846063
(5S)-3,11-dimethyldodecan-5-amine
CID 174258758
2-methylbutan-1-ol;zirconium
CID 152608404
3,5-dimethylheptane;ethane
CID 172617343
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane
CID 142843711

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylhexan-1-ol;hydrochloride?
The IUPAC name of 2-amino-4-methylhexan-1-ol;hydrochloride (CID 55253854) is 2-amino-4-methylhexan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-4-methylhexan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-4-methylhexan-1-ol;hydrochloride is CCC(C)CC(N)CO.Cl.
What is the InChIKey of 2-amino-4-methylhexan-1-ol;hydrochloride?
The InChIKey is QBEKNNSOMBEJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.ClH/c1-3-6(2)4-7(8)5-9;/h6-7,9H,3-5,8H2,1-2H3;1H.
What are the key properties of 2-amino-4-methylhexan-1-ol;hydrochloride?
2-amino-4-methylhexan-1-ol;hydrochloride has a molecular weight of 167.68 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylhexan-1-ol;hydrochloride is sourced from PubChem (CID 55253854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).