cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol

C22H43NO — CID 24936307

IUPACcis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol
SMILESCCCCCCCCC/C=C1/CCC[C@H](O)[C@H]1NCCCCCC
InChIInChI=1S/C22H43NO/c1-3-5-7-9-10-11-12-13-16-20-17-15-18-21(24)22(20)23-19-14-8-6-4-2/h16,21-24H,3-15,17-19H2,1-2H3/b20-16-/t21-,22-/m0/s1
InChIKeyFLEVBVBBGZPZHJ-BURFVFRZSA-N
MW337.59 g/mol
LogP6.14
Rot. Bonds14

About cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol

cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol (PubChem CID 24936307) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol
PubChem CID24936307
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Namecis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol
SMILESCCCCCCCCC/C=C1/CCC[C@H](O)[C@H]1NCCCCCC
InChIInChI=1S/C22H43NO/c1-3-5-7-9-10-11-12-13-16-20-17-15-18-21(24)22(20)23-19-14-8-6-4-2/h16,21-24H,3-15,17-19H2,1-2H3/b20-16-/t21-,22-/m0/s1
InChIKeyFLEVBVBBGZPZHJ-BURFVFRZSA-N
XLogP6.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol (CID 24936307) is cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol is CCCCCCCCC/C=C1/CCC[C@H](O)[C@H]1NCCCCCC.
What is the InChIKey of cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol?
The InChIKey is FLEVBVBBGZPZHJ-BURFVFRZSA-N. The full InChI is InChI=1S/C22H43NO/c1-3-5-7-9-10-11-12-13-16-20-17-15-18-21(24)22(20)23-19-14-8-6-4-2/h16,21-24H,3-15,17-19H2,1-2H3/b20-16-/t21-,22-/m0/s1.
What are the key properties of cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol?
cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol has a molecular weight of 337.59 g/mol, XLogP of 6.14, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol is sourced from PubChem (CID 24936307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).