cis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol

C24H47NO — CID 24936309

IUPACcis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol
SMILESCCCCCCCCCCCCC/C=C1/CCC[C@H](O)[C@H]1NCCCC
InChIInChI=1S/C24H47NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(26)24(22)25-21-6-4-2/h18,23-26H,3-17,19-21H2,1-2H3/b22-18-/t23-,24-/m0/s1
InChIKeyUQIYGIAMGROPOJ-ZJYLERANSA-N
MW365.65 g/mol
LogP6.92
Rot. Bonds16

About cis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol

cis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol (PubChem CID 24936309) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is cis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol
PubChem CID24936309
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Namecis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol
SMILESCCCCCCCCCCCCC/C=C1/CCC[C@H](O)[C@H]1NCCCC
InChIInChI=1S/C24H47NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(26)24(22)25-21-6-4-2/h18,23-26H,3-17,19-21H2,1-2H3/b22-18-/t23-,24-/m0/s1
InChIKeyUQIYGIAMGROPOJ-ZJYLERANSA-N
XLogP6.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 56.92
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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Related Compounds

cis-(1S,2S,3Z)-2-(hexylamino)-3-tetradecylidenecyclohexan-1-ol
CID 24798788
cis-(1R,2R,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol
CID 24936063
cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol
CID 24936307
cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-tetradecylidenecyclohexan-1-ol
CID 44446331
cis-(1S,2S,3Z)-2-(diethylamino)-3-tetradecylidenecyclohexan-1-ol
CID 44446335
(2S,6R)-4-ethyl-6-(tetradecylamino)cyclohex-4-ene-1,2,3-triol
CID 60041131
(2S,6R)-6-(decylamino)-4-ethylcyclohex-4-ene-1,2,3-triol
CID 60041181
(2S,6R)-4-ethyl-6-(octadecylamino)cyclohex-4-ene-1,2,3-triol
CID 60041218
(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
CID 70227186
cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol
CID 89271919
1-(Cyclohexen-1-yl)-1-(methylamino)propan-2-ol
CID 123328567
1-(ethylamino)-2,3,4,5-tetrahydro-1H-inden-2-ol
CID 123990062

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol?
The IUPAC name of cis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol (CID 24936309) is cis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol is CCCCCCCCCCCCC/C=C1/CCC[C@H](O)[C@H]1NCCCC.
What is the InChIKey of cis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol?
The InChIKey is UQIYGIAMGROPOJ-ZJYLERANSA-N. The full InChI is InChI=1S/C24H47NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(26)24(22)25-21-6-4-2/h18,23-26H,3-17,19-21H2,1-2H3/b22-18-/t23-,24-/m0/s1.
What are the key properties of cis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol?
cis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol has a molecular weight of 365.65 g/mol, XLogP of 6.92, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol is sourced from PubChem (CID 24936309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).