5-methylheptan-2-amine;hydrochloride

C8H20ClN — CID 127255592

IUPAC5-methylheptan-2-amine;hydrochloride
SMILESCCC(C)CCC(C)N.Cl
InChIInChI=1S/C8H19N.ClH/c1-4-7(2)5-6-8(3)9;/h7-8H,4-6,9H2,1-3H3;1H
InChIKeyRNBWYBZFRLAFJU-UHFFFAOYSA-N
MW165.71 g/mol
LogP2.58
Rot. Bonds4

About 5-methylheptan-2-amine;hydrochloride

5-methylheptan-2-amine;hydrochloride (PubChem CID 127255592) has the molecular formula C8H20ClN and a molecular weight of 165.71 g/mol. Its IUPAC name is 5-methylheptan-2-amine;hydrochloride.

Molecular Properties

Compound Name5-methylheptan-2-amine;hydrochloride
PubChem CID127255592
Molecular FormulaC8H20ClN
Molecular Weight165.71 g/mol
Exact Mass165.13
IUPAC Name5-methylheptan-2-amine;hydrochloride
SMILESCCC(C)CCC(C)N.Cl
InChIInChI=1S/C8H19N.ClH/c1-4-7(2)5-6-8(3)9;/h7-8H,4-6,9H2,1-3H3;1H
InChIKeyRNBWYBZFRLAFJU-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-hexane-2,5-diamine
CID 144618459
2-methylhexane-1,5-diamine
CID 18314368
(2R,5R)-5-amino-2-methylhexan-1-ol
CID 167005595
(3S,7R)-2,3,7-trimethylnonan-4-amine
CID 174014223
1-amino-2,5-dimethylheptan-1-ol
CID 123488393
4-methyl-1-triethoxysilylhexan-1-amine
CID 175249037
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
(3R,6R)-3,6-dimethylnonane
CID 170848352
2,5-dimethylheptane;propane
CID 145235091
(2S)-4-methylhexan-2-amine
CID 141201507
5-methyltridecane-2,12-diamine
CID 18720546
(Z)-16-methyloctadec-10-en-2-amine
CID 170891715

Frequently Asked Questions

What is the IUPAC name of 5-methylheptan-2-amine;hydrochloride?
The IUPAC name of 5-methylheptan-2-amine;hydrochloride (CID 127255592) is 5-methylheptan-2-amine;hydrochloride.
What is the SMILES notation for 5-methylheptan-2-amine;hydrochloride?
The canonical SMILES for 5-methylheptan-2-amine;hydrochloride is CCC(C)CCC(C)N.Cl.
What is the InChIKey of 5-methylheptan-2-amine;hydrochloride?
The InChIKey is RNBWYBZFRLAFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.ClH/c1-4-7(2)5-6-8(3)9;/h7-8H,4-6,9H2,1-3H3;1H.
What are the key properties of 5-methylheptan-2-amine;hydrochloride?
5-methylheptan-2-amine;hydrochloride has a molecular weight of 165.71 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylheptan-2-amine;hydrochloride is sourced from PubChem (CID 127255592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).