4-(hex-5-en-2-ylamino)cyclohexan-1-ol

C12H23NO — CID 75525485

IUPAC4-(hex-5-en-2-ylamino)cyclohexan-1-ol
SMILESC=CCCC(C)NC1CCC(O)CC1
InChIInChI=1S/C12H23NO/c1-3-4-5-10(2)13-11-6-8-12(14)9-7-11/h3,10-14H,1,4-9H2,2H3
InChIKeySGQSEMJPZSSVTM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.23
Rot. Bonds5

About 4-(hex-5-en-2-ylamino)cyclohexan-1-ol

4-(hex-5-en-2-ylamino)cyclohexan-1-ol (PubChem CID 75525485) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(hex-5-en-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(hex-5-en-2-ylamino)cyclohexan-1-ol
PubChem CID75525485
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(hex-5-en-2-ylamino)cyclohexan-1-ol
SMILESC=CCCC(C)NC1CCC(O)CC1
InChIInChI=1S/C12H23NO/c1-3-4-5-10(2)13-11-6-8-12(14)9-7-11/h3,10-14H,1,4-9H2,2H3
InChIKeySGQSEMJPZSSVTM-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.23
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 4-(hex-5-en-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(hex-5-en-2-ylamino)cyclohexan-1-ol (CID 75525485) is 4-(hex-5-en-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(hex-5-en-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(hex-5-en-2-ylamino)cyclohexan-1-ol is C=CCCC(C)NC1CCC(O)CC1.
What is the InChIKey of 4-(hex-5-en-2-ylamino)cyclohexan-1-ol?
The InChIKey is SGQSEMJPZSSVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-5-10(2)13-11-6-8-12(14)9-7-11/h3,10-14H,1,4-9H2,2H3.
What are the key properties of 4-(hex-5-en-2-ylamino)cyclohexan-1-ol?
4-(hex-5-en-2-ylamino)cyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hex-5-en-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 75525485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).