(Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol

C12H23NO — CID 14315755

IUPAC(Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol
SMILESCC(C)(O)/C=C\CNC1CCCCC1
InChIInChI=1S/C12H23NO/c1-12(2,14)9-6-10-13-11-7-4-3-5-8-11/h6,9,11,13-14H,3-5,7-8,10H2,1-2H3/b9-6-
InChIKeyKMHQSMCMGBMJHZ-TWGQIWQCSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds4

About (Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol

(Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol (PubChem CID 14315755) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol.

Molecular Properties

Compound Name(Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol
PubChem CID14315755
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol
SMILESCC(C)(O)/C=C\CNC1CCCCC1
InChIInChI=1S/C12H23NO/c1-12(2,14)9-6-10-13-11-7-4-3-5-8-11/h6,9,11,13-14H,3-5,7-8,10H2,1-2H3/b9-6-
InChIKeyKMHQSMCMGBMJHZ-TWGQIWQCSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
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 (Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol?
The IUPAC name of (Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol (CID 14315755) is (Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol.
What is the SMILES notation for (Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol?
The canonical SMILES for (Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol is CC(C)(O)/C=C\CNC1CCCCC1.
What is the InChIKey of (Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol?
The InChIKey is KMHQSMCMGBMJHZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,14)9-6-10-13-11-7-4-3-5-8-11/h6,9,11,13-14H,3-5,7-8,10H2,1-2H3/b9-6-.
What are the key properties of (Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol?
(Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(cyclohexylamino)-2-methylpent-3-en-2-ol is sourced from PubChem (CID 14315755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).