1-(benzylamino)-2-methylbut-3-en-2-ol

C12H17NO — CID 11263990

IUPAC1-(benzylamino)-2-methylbut-3-en-2-ol
SMILESC=CC(C)(O)CNCc1ccccc1
InChIInChI=1S/C12H17NO/c1-3-12(2,14)10-13-9-11-7-5-4-6-8-11/h3-8,13-14H,1,9-10H2,2H3
InChIKeyRSULUGSUEKOWOT-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.71
Rot. Bonds5

About 1-(benzylamino)-2-methylbut-3-en-2-ol

1-(benzylamino)-2-methylbut-3-en-2-ol (PubChem CID 11263990) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(benzylamino)-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name1-(benzylamino)-2-methylbut-3-en-2-ol
PubChem CID11263990
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(benzylamino)-2-methylbut-3-en-2-ol
SMILESC=CC(C)(O)CNCc1ccccc1
InChIInChI=1S/C12H17NO/c1-3-12(2,14)10-13-9-11-7-5-4-6-8-11/h3-8,13-14H,1,9-10H2,2H3
InChIKeyRSULUGSUEKOWOT-UHFFFAOYSA-N
XLogP1.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.71
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

N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine
CID 102481458
1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847859
3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol
CID 24809784
4-(benzylamino)-2-methylbutan-2-ol
CID 21242176
(2S)-2-(benzylamino)-2-methylbut-3-en-1-ol
CID 131187397
(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
CID 129368100
1-(2-chloroanilino)-2-methylbut-3-en-2-ol
CID 13123252
N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 173138199
N-benzylethanamine;tris(yttrium)
CID 158198357
benzaldehyde;N-benzylethanamine
CID 22227487
4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride
CID 173170134
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-2-methylbut-3-en-2-ol?
The IUPAC name of 1-(benzylamino)-2-methylbut-3-en-2-ol (CID 11263990) is 1-(benzylamino)-2-methylbut-3-en-2-ol.
What is the SMILES notation for 1-(benzylamino)-2-methylbut-3-en-2-ol?
The canonical SMILES for 1-(benzylamino)-2-methylbut-3-en-2-ol is C=CC(C)(O)CNCc1ccccc1.
What is the InChIKey of 1-(benzylamino)-2-methylbut-3-en-2-ol?
The InChIKey is RSULUGSUEKOWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-12(2,14)10-13-9-11-7-5-4-6-8-11/h3-8,13-14H,1,9-10H2,2H3.
What are the key properties of 1-(benzylamino)-2-methylbut-3-en-2-ol?
1-(benzylamino)-2-methylbut-3-en-2-ol has a molecular weight of 191.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-2-methylbut-3-en-2-ol is sourced from PubChem (CID 11263990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).