N-methylpentan-2-amine;hydrochloride

C6H16ClN — CID 42919600

IUPACN-methylpentan-2-amine;hydrochloride
SMILESCCCC(C)NC.Cl
InChIInChI=1S/C6H15N.ClH/c1-4-5-6(2)7-3;/h6-7H,4-5H2,1-3H3;1H
InChIKeyAOMLOTWGVLUDQZ-UHFFFAOYSA-N
MW137.65 g/mol
LogP1.82
Rot. Bonds3

About N-methylpentan-2-amine;hydrochloride

N-methylpentan-2-amine;hydrochloride (PubChem CID 42919600) has the molecular formula C6H16ClN and a molecular weight of 137.65 g/mol. Its IUPAC name is N-methylpentan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methylpentan-2-amine;hydrochloride
PubChem CID42919600
Molecular FormulaC6H16ClN
Molecular Weight137.65 g/mol
Exact Mass137.10
IUPAC NameN-methylpentan-2-amine;hydrochloride
SMILESCCCC(C)NC.Cl
InChIInChI=1S/C6H15N.ClH/c1-4-5-6(2)7-3;/h6-7H,4-5H2,1-3H3;1H
InChIKeyAOMLOTWGVLUDQZ-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.65
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(2S)-N-methylpentan-2-amine
CID 143603159
N-methyltetradecan-2-amine
CID 54073704
1,2-bis[(2S)-pentan-2-yl]hydrazine
CID 92556919
cyclohexane;N,4-dimethylheptan-2-amine
CID 144521968
butane;ethane;N-methylbutan-2-amine
CID 145323571
(2R)-N-chloropentan-2-amine
CID 88575991
(2R,5R)-5-(methylamino)hexan-2-ol
CID 148896178
N-methyl-6-pentylsulfanylhexan-2-amine
CID 107763169
4-N-methyl-1-N-octyl-1-N-pentadecylpentane-1,4-diamine
CID 170755203
2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine
CID 170105864
1-N'-pentan-2-ylethane-1,1-diamine
CID 147485734
(2R)-5-chloro-N-methylpentan-2-amine
CID 129120324

Frequently Asked Questions

What is the IUPAC name of N-methylpentan-2-amine;hydrochloride?
The IUPAC name of N-methylpentan-2-amine;hydrochloride (CID 42919600) is N-methylpentan-2-amine;hydrochloride.
What is the SMILES notation for N-methylpentan-2-amine;hydrochloride?
The canonical SMILES for N-methylpentan-2-amine;hydrochloride is CCCC(C)NC.Cl.
What is the InChIKey of N-methylpentan-2-amine;hydrochloride?
The InChIKey is AOMLOTWGVLUDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.ClH/c1-4-5-6(2)7-3;/h6-7H,4-5H2,1-3H3;1H.
What are the key properties of N-methylpentan-2-amine;hydrochloride?
N-methylpentan-2-amine;hydrochloride has a molecular weight of 137.65 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpentan-2-amine;hydrochloride is sourced from PubChem (CID 42919600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).