3,5,5-trimethylhexan-1-amine;hydrochloride

C9H22ClN — CID 15766522

IUPAC3,5,5-trimethylhexan-1-amine;hydrochloride
SMILESCC(CCN)CC(C)(C)C.Cl
InChIInChI=1S/C9H21N.ClH/c1-8(5-6-10)7-9(2,3)4;/h8H,5-7,10H2,1-4H3;1H
InChIKeyPNKWMGZBASLLLF-UHFFFAOYSA-N
MW179.73 g/mol
LogP2.83
Rot. Bonds3

About 3,5,5-trimethylhexan-1-amine;hydrochloride

3,5,5-trimethylhexan-1-amine;hydrochloride (PubChem CID 15766522) has the molecular formula C9H22ClN and a molecular weight of 179.73 g/mol. Its IUPAC name is 3,5,5-trimethylhexan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,5,5-trimethylhexan-1-amine;hydrochloride
PubChem CID15766522
Molecular FormulaC9H22ClN
Molecular Weight179.73 g/mol
Exact Mass179.14
IUPAC Name3,5,5-trimethylhexan-1-amine;hydrochloride
SMILESCC(CCN)CC(C)(C)C.Cl
InChIInChI=1S/C9H21N.ClH/c1-8(5-6-10)7-9(2,3)4;/h8H,5-7,10H2,1-4H3;1H
InChIKeyPNKWMGZBASLLLF-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.73
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethylhexan-1-amine;hydrochloride?
The IUPAC name of 3,5,5-trimethylhexan-1-amine;hydrochloride (CID 15766522) is 3,5,5-trimethylhexan-1-amine;hydrochloride.
What is the SMILES notation for 3,5,5-trimethylhexan-1-amine;hydrochloride?
The canonical SMILES for 3,5,5-trimethylhexan-1-amine;hydrochloride is CC(CCN)CC(C)(C)C.Cl.
What is the InChIKey of 3,5,5-trimethylhexan-1-amine;hydrochloride?
The InChIKey is PNKWMGZBASLLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.ClH/c1-8(5-6-10)7-9(2,3)4;/h8H,5-7,10H2,1-4H3;1H.
What are the key properties of 3,5,5-trimethylhexan-1-amine;hydrochloride?
3,5,5-trimethylhexan-1-amine;hydrochloride has a molecular weight of 179.73 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethylhexan-1-amine;hydrochloride is sourced from PubChem (CID 15766522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).