N,3-dimethylhexan-3-amine;hydrochloride

C8H20ClN — CID 138400484

IUPACN,3-dimethylhexan-3-amine;hydrochloride
SMILESCCCC(C)(CC)NC.Cl
InChIInChI=1S/C8H19N.ClH/c1-5-7-8(3,6-2)9-4;/h9H,5-7H2,1-4H3;1H
InChIKeyLAPDMBHXOTURJK-UHFFFAOYSA-N
MW165.71 g/mol
LogP2.60
Rot. Bonds4

About N,3-dimethylhexan-3-amine;hydrochloride

N,3-dimethylhexan-3-amine;hydrochloride (PubChem CID 138400484) has the molecular formula C8H20ClN and a molecular weight of 165.71 g/mol. Its IUPAC name is N,3-dimethylhexan-3-amine;hydrochloride.

Molecular Properties

Compound NameN,3-dimethylhexan-3-amine;hydrochloride
PubChem CID138400484
Molecular FormulaC8H20ClN
Molecular Weight165.71 g/mol
Exact Mass165.13
IUPAC NameN,3-dimethylhexan-3-amine;hydrochloride
SMILESCCCC(C)(CC)NC.Cl
InChIInChI=1S/C8H19N.ClH/c1-5-7-8(3,6-2)9-4;/h9H,5-7H2,1-4H3;1H
InChIKeyLAPDMBHXOTURJK-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.71
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-N,3-N,3-trimethylhexane-1,3-diamine
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N-tert-butyl-3-methylhexan-3-amine
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(2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine
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N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
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1-[(2S)-2-methyl-2-(methylamino)pentyl]azetidin-3-ol
CID 67811622
4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline
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3-bromo-3-methylhexane
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3-methyl-3-(methylamino)pentanamide
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Frequently Asked Questions

What is the IUPAC name of N,3-dimethylhexan-3-amine;hydrochloride?
The IUPAC name of N,3-dimethylhexan-3-amine;hydrochloride (CID 138400484) is N,3-dimethylhexan-3-amine;hydrochloride.
What is the SMILES notation for N,3-dimethylhexan-3-amine;hydrochloride?
The canonical SMILES for N,3-dimethylhexan-3-amine;hydrochloride is CCCC(C)(CC)NC.Cl.
What is the InChIKey of N,3-dimethylhexan-3-amine;hydrochloride?
The InChIKey is LAPDMBHXOTURJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.ClH/c1-5-7-8(3,6-2)9-4;/h9H,5-7H2,1-4H3;1H.
What are the key properties of N,3-dimethylhexan-3-amine;hydrochloride?
N,3-dimethylhexan-3-amine;hydrochloride has a molecular weight of 165.71 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylhexan-3-amine;hydrochloride is sourced from PubChem (CID 138400484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).