1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol

C18H27NO — CID 101251371

IUPAC1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol
SMILESC/C(=C/CN(C)Cc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C18H27NO/c1-16(18(20)12-7-4-8-13-18)11-14-19(2)15-17-9-5-3-6-10-17/h3,5-6,9-11,20H,4,7-8,12-15H2,1-2H3/b16-11-
InChIKeyODQSRLGQWNJBTQ-WJDWOHSUSA-N
MW273.42 g/mol
LogP3.76
Rot. Bonds5

About 1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol

1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol (PubChem CID 101251371) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol
PubChem CID101251371
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol
SMILESC/C(=C/CN(C)Cc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C18H27NO/c1-16(18(20)12-7-4-8-13-18)11-14-19(2)15-17-9-5-3-6-10-17/h3,5-6,9-11,20H,4,7-8,12-15H2,1-2H3/b16-11-
InChIKeyODQSRLGQWNJBTQ-WJDWOHSUSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol (CID 101251371) is 1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol is C/C(=C/CN(C)Cc1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol?
The InChIKey is ODQSRLGQWNJBTQ-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H27NO/c1-16(18(20)12-7-4-8-13-18)11-14-19(2)15-17-9-5-3-6-10-17/h3,5-6,9-11,20H,4,7-8,12-15H2,1-2H3/b16-11-.
What are the key properties of 1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol?
1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 101251371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).