trans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol

C19H37NO — CID 89175277

IUPACtrans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol
SMILESC=C(CCCCCCCCCCC)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C19H37NO/c1-3-4-5-6-7-8-9-10-11-14-17(2)20-18-15-12-13-16-19(18)21/h18-21H,2-16H2,1H3/t18-,19-/m1/s1
InChIKeyDGHPCDNMRLLADF-RTBURBONSA-N
MW295.51 g/mol
LogP5.31
Rot. Bonds12

About trans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol (PubChem CID 89175277) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is trans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol
PubChem CID89175277
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Nametrans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol
SMILESC=C(CCCCCCCCCCC)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C19H37NO/c1-3-4-5-6-7-8-9-10-11-14-17(2)20-18-15-12-13-16-19(18)21/h18-21H,2-16H2,1H3/t18-,19-/m1/s1
InChIKeyDGHPCDNMRLLADF-RTBURBONSA-N
XLogP5.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol (CID 89175277) is trans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol is C=C(CCCCCCCCCCC)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol?
The InChIKey is DGHPCDNMRLLADF-RTBURBONSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-4-5-6-7-8-9-10-11-14-17(2)20-18-15-12-13-16-19(18)21/h18-21H,2-16H2,1H3/t18-,19-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol has a molecular weight of 295.51 g/mol, XLogP of 5.31, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(tridec-1-en-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 89175277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).