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

C23H45NO — CID 24936308

IUPACcis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol
SMILESCCCCCCCCCCCCC/C=C1/CCC[C@H](O)[C@H]1NCCC
InChIInChI=1S/C23H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(25)23(21)24-20-4-2/h17,22-25H,3-16,18-20H2,1-2H3/b21-17-/t22-,23-/m0/s1
InChIKeyMMSSRPUBNPVCRG-CNOHFIPDSA-N
MW351.62 g/mol
LogP6.53
Rot. Bonds15

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

cis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol (PubChem CID 24936308) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is cis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol
PubChem CID24936308
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Namecis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol
SMILESCCCCCCCCCCCCC/C=C1/CCC[C@H](O)[C@H]1NCCC
InChIInChI=1S/C23H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(25)23(21)24-20-4-2/h17,22-25H,3-16,18-20H2,1-2H3/b21-17-/t22-,23-/m0/s1
InChIKeyMMSSRPUBNPVCRG-CNOHFIPDSA-N
XLogP6.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.53
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'}

Analyze cis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2Z)-2-octylidenecyclopentan-1-ol
CID 177383761
1-methyl-2-nonylidenecyclopentane
CID 123463809
ethyl 2-(2-hydroxy-6-tetradecylidenecyclohexyl)sulfanylacetate
CID 70350422
3-hexadecylidenecyclohexan-1-ol
CID 91228547
[(2E)-2-hexylidenecyclopentyl]benzene
CID 15354301
2-(nonylamino)cyclohexan-1-ol
CID 62360571
2-(2-hexylidenecyclopentyl)ethylbenzene
CID 71320397
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
6-hexyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403821
dodecylidenecyclobutane
CID 176570971
decylidenecyclobutane
CID 15365573
(8Z,12E)-N-(2-aminoethyl)-11-hexyl-12-nonylidenecycloicos-8-ene-1-carboxamide
CID 139470227

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol?
The IUPAC name of cis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol (CID 24936308) is cis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol is CCCCCCCCCCCCC/C=C1/CCC[C@H](O)[C@H]1NCCC.
What is the InChIKey of cis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol?
The InChIKey is MMSSRPUBNPVCRG-CNOHFIPDSA-N. The full InChI is InChI=1S/C23H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(25)23(21)24-20-4-2/h17,22-25H,3-16,18-20H2,1-2H3/b21-17-/t22-,23-/m0/s1.
What are the key properties of cis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol?
cis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol has a molecular weight of 351.62 g/mol, XLogP of 6.53, 15 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-(propylamino)-3-tetradecylidenecyclohexan-1-ol is sourced from PubChem (CID 24936308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).