cis-(1S,2S,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol

C24H47NO — CID 24937779

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

About cis-(1S,2S,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol

cis-(1S,2S,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol (PubChem CID 24937779) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is cis-(1S,2S,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol
PubChem CID24937779
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Namecis-(1S,2S,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol
SMILESCCCCCCCCCCCCC/C=C1/CCC[C@H](NCCCC)[C@H]1O
InChIInChI=1S/C24H47NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24(22)26)25-21-6-4-2/h18,23-26H,3-17,19-21H2,1-2H3/b22-18-/t23-,24-/m0/s1
InChIKeyBXGZWTIYTVZGOT-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
N-Octylsphingosine
CID 16759361
CID 2509
CID 2509
N-Stearyl-sphingosin
CID 10280875
N-palmitylsphingosine
CID 11511996
(E,2S,3R)-2-(dodecylamino)octadec-4-ene-1,3-diol
CID 129663794
N-Behenyl-sphingosin
CID 129717352
N-lignocerylsphingosine
CID 129726557
(E,2S,3R)-2-[[(Z)-tetracos-15-enyl]amino]octadec-4-ene-1,3-diol
CID 166451830

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol?
The IUPAC name of cis-(1S,2S,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol (CID 24937779) is cis-(1S,2S,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol is CCCCCCCCCCCCC/C=C1/CCC[C@H](NCCCC)[C@H]1O.
What is the InChIKey of cis-(1S,2S,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol?
The InChIKey is BXGZWTIYTVZGOT-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(24(22)26)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,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol?
cis-(1S,2S,6Z)-2-(butylamino)-6-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,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol is sourced from PubChem (CID 24937779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).