4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol

C11H20NOP — CID 159404197

IUPAC4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol
SMILESC=PN(C)C/C=C/C1CCC(O)CC1
InChIInChI=1S/C11H20NOP/c1-12(14-2)9-3-4-10-5-7-11(13)8-6-10/h3-4,10-11,13H,2,5-9H2,1H3/b4-3+
InChIKeyLNSWZZGSBJGJDS-ONEGZZNKSA-N
MW213.26 g/mol
LogP2.32
Rot. Bonds4

About 4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol

4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol (PubChem CID 159404197) has the molecular formula C11H20NOP and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol
PubChem CID159404197
Molecular FormulaC11H20NOP
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol
SMILESC=PN(C)C/C=C/C1CCC(O)CC1
InChIInChI=1S/C11H20NOP/c1-12(14-2)9-3-4-10-5-7-11(13)8-6-10/h3-4,10-11,13H,2,5-9H2,1H3/b4-3+
InChIKeyLNSWZZGSBJGJDS-ONEGZZNKSA-N
XLogP2.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol?
The IUPAC name of 4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol (CID 159404197) is 4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol is C=PN(C)C/C=C/C1CCC(O)CC1.
What is the InChIKey of 4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol?
The InChIKey is LNSWZZGSBJGJDS-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H20NOP/c1-12(14-2)9-3-4-10-5-7-11(13)8-6-10/h3-4,10-11,13H,2,5-9H2,1H3/b4-3+.
What are the key properties of 4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol?
4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol has a molecular weight of 213.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[methyl(methylidenephosphanyl)amino]prop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 159404197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).