4-ethyl-N-methylhexan-1-amine;hydrochloride

C9H22ClN — CID 122164420

IUPAC4-ethyl-N-methylhexan-1-amine;hydrochloride
SMILESCCC(CC)CCCNC.Cl
InChIInChI=1S/C9H21N.ClH/c1-4-9(5-2)7-6-8-10-3;/h9-10H,4-8H2,1-3H3;1H
InChIKeyCYJLWHRZERFEBS-UHFFFAOYSA-N
MW179.73 g/mol
LogP2.84
Rot. Bonds6

About 4-ethyl-N-methylhexan-1-amine;hydrochloride

4-ethyl-N-methylhexan-1-amine;hydrochloride (PubChem CID 122164420) has the molecular formula C9H22ClN and a molecular weight of 179.73 g/mol. Its IUPAC name is 4-ethyl-N-methylhexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-ethyl-N-methylhexan-1-amine;hydrochloride
PubChem CID122164420
Molecular FormulaC9H22ClN
Molecular Weight179.73 g/mol
Exact Mass179.14
IUPAC Name4-ethyl-N-methylhexan-1-amine;hydrochloride
SMILESCCC(CC)CCCNC.Cl
InChIInChI=1S/C9H21N.ClH/c1-4-9(5-2)7-6-8-10-3;/h9-10H,4-8H2,1-3H3;1H
InChIKeyCYJLWHRZERFEBS-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-methylnonan-1-amine
CID 174361476
3-ethyl-6-(methylamino)hexan-1-ol
CID 142846754
3,7-diethylnonane
CID 22089120
3-butyl-N'-methylhexane-1,6-diamine
CID 163747264
(8R)-3-ethyl-8-methoxy-N,7-dimethyldecan-1-amine
CID 163818827
N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide
CID 173358524
N-methyl-3-[(methylideneamino)methyl]pentan-1-amine
CID 166649822
2-[4-(methylamino)butyl]propane-1,3-diol
CID 59502430
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
3,6-diethyloctane
CID 526424
N,7-diethylnonan-3-amine
CID 82925508
N,3-diethylpentan-1-amine;ethane
CID 145372093

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methylhexan-1-amine;hydrochloride?
The IUPAC name of 4-ethyl-N-methylhexan-1-amine;hydrochloride (CID 122164420) is 4-ethyl-N-methylhexan-1-amine;hydrochloride.
What is the SMILES notation for 4-ethyl-N-methylhexan-1-amine;hydrochloride?
The canonical SMILES for 4-ethyl-N-methylhexan-1-amine;hydrochloride is CCC(CC)CCCNC.Cl.
What is the InChIKey of 4-ethyl-N-methylhexan-1-amine;hydrochloride?
The InChIKey is CYJLWHRZERFEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.ClH/c1-4-9(5-2)7-6-8-10-3;/h9-10H,4-8H2,1-3H3;1H.
What are the key properties of 4-ethyl-N-methylhexan-1-amine;hydrochloride?
4-ethyl-N-methylhexan-1-amine;hydrochloride has a molecular weight of 179.73 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methylhexan-1-amine;hydrochloride is sourced from PubChem (CID 122164420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).