[(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol

C14H24N2O — CID 143638808

IUPAC[(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol
SMILESC=C(/N=C(C)\C=C/C)NC1CCCC[C@@H]1CO
InChIInChI=1S/C14H24N2O/c1-4-7-11(2)15-12(3)16-14-9-6-5-8-13(14)10-17/h4,7,13-14,16-17H,3,5-6,8-10H2,1-2H3/b7-4-,15-11-/t13-,14?/m1/s1
InChIKeyYSFNQXCBOIHYMB-CGDLOZGXSA-N
MW236.36 g/mol
LogP2.64
Rot. Bonds5

About [(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol

[(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol (PubChem CID 143638808) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is [(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol
PubChem CID143638808
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name[(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol
SMILESC=C(/N=C(C)\C=C/C)NC1CCCC[C@@H]1CO
InChIInChI=1S/C14H24N2O/c1-4-7-11(2)15-12(3)16-14-9-6-5-8-13(14)10-17/h4,7,13-14,16-17H,3,5-6,8-10H2,1-2H3/b7-4-,15-11-/t13-,14?/m1/s1
InChIKeyYSFNQXCBOIHYMB-CGDLOZGXSA-N
XLogP2.64
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol?
The IUPAC name of [(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol (CID 143638808) is [(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol.
What is the SMILES notation for [(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol?
The canonical SMILES for [(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol is C=C(/N=C(C)\C=C/C)NC1CCCC[C@@H]1CO.
What is the InChIKey of [(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol?
The InChIKey is YSFNQXCBOIHYMB-CGDLOZGXSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-7-11(2)15-12(3)16-14-9-6-5-8-13(14)10-17/h4,7,13-14,16-17H,3,5-6,8-10H2,1-2H3/b7-4-,15-11-/t13-,14?/m1/s1.
What are the key properties of [(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol?
[(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol has a molecular weight of 236.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol is sourced from PubChem (CID 143638808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).