4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride

C13H20ClNO — CID 173170134

IUPAC4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride
SMILESC=CC(O)(Cc1ccccc1)C(C)(C)N.Cl
InChIInChI=1S/C13H19NO.ClH/c1-4-13(15,12(2,3)14)10-11-8-6-5-7-9-11;/h4-9,15H,1,10,14H2,2-3H3;1H
InChIKeyYPJAWTNZJNGXFL-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.31
Rot. Bonds4

About 4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride

4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride (PubChem CID 173170134) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride.

Molecular Properties

Compound Name4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride
PubChem CID173170134
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride
SMILESC=CC(O)(Cc1ccccc1)C(C)(C)N.Cl
InChIInChI=1S/C13H19NO.ClH/c1-4-13(15,12(2,3)14)10-11-8-6-5-7-9-11;/h4-9,15H,1,10,14H2,2-3H3;1H
InChIKeyYPJAWTNZJNGXFL-UHFFFAOYSA-N
XLogP2.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
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2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol
CID 140503956
2-benzyl-2-hydroxybut-3-enoic acid
CID 101385573
2-amino-1-phenylpropan-2-ol;sulfuric acid
CID 69452092
1-(benzylamino)-2-methylbut-3-en-2-ol
CID 11263990
S-(2-methyl-1-phenylbut-3-en-2-yl) benzenecarbothioate
CID 71500495
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
4-benzylhepta-1,6-dien-4-amine
CID 15310873

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride?
The IUPAC name of 4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride (CID 173170134) is 4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride.
What is the SMILES notation for 4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride?
The canonical SMILES for 4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride is C=CC(O)(Cc1ccccc1)C(C)(C)N.Cl.
What is the InChIKey of 4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride?
The InChIKey is YPJAWTNZJNGXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-4-13(15,12(2,3)14)10-11-8-6-5-7-9-11;/h4-9,15H,1,10,14H2,2-3H3;1H.
What are the key properties of 4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride?
4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride is sourced from PubChem (CID 173170134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).