trans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol

C15H29NO — CID 56854734

IUPACtrans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(C)=CCCC(C)NC[C@H]1CCCC[C@H]1O
InChIInChI=1S/C15H29NO/c1-12(2)7-6-8-13(3)16-11-14-9-4-5-10-15(14)17/h7,13-17H,4-6,8-11H2,1-3H3/t13?,14-,15-/m1/s1
InChIKeyCFGUSOPSPICELP-JVIGXAJISA-N
MW239.40 g/mol
LogP3.26
Rot. Bonds6

About trans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol

trans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 56854734) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID56854734
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nametrans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(C)=CCCC(C)NC[C@H]1CCCC[C@H]1O
InChIInChI=1S/C15H29NO/c1-12(2)7-6-8-13(3)16-11-14-9-4-5-10-15(14)17/h7,13-17H,4-6,8-11H2,1-3H3/t13?,14-,15-/m1/s1
InChIKeyCFGUSOPSPICELP-JVIGXAJISA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol
CID 39755788
1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-2-(4-ethylcyclohexen-1-yl)ethanol
CID 68097861
(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
CID 70227186
(1S)-1-[4-(butylaminomethyl)cyclohexyl]-3-(5-ethylcyclohexen-1-yl)propan-1-ol
CID 70325306
3-Cyclohex-2-en-1-yl-2-(propan-2-ylamino)propan-1-ol
CID 126517201
3-[4-[2-(Prop-2-ynylamino)propyl]cyclohexen-1-yl]propan-1-ol
CID 129045839
6-methyl-2,4,5,6,7,7a-hexahydro-1H-indol-7-ol
CID 141769147
1-[(1R)-cyclohex-2-en-1-yl]-3-(methylamino)propan-1-ol
CID 141795329
1-Methyl-6-(propylamino)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-ol
CID 141916261
3-[[(1S)-4-methylcyclohex-3-en-1-yl]methylamino]propan-1-ol
CID 142067814
1-[6-(Methylamino)cyclohex-3-en-1-yl]ethanol
CID 143631192
3-[1-[[(4Z)-8-methylcyclonon-4-en-1-yl]methylamino]ethyl]heptan-2-ol
CID 170419379

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol (CID 56854734) is trans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol is CC(C)=CCCC(C)NC[C@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is CFGUSOPSPICELP-JVIGXAJISA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)7-6-8-13(3)16-11-14-9-4-5-10-15(14)17/h7,13-17H,4-6,8-11H2,1-3H3/t13?,14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol?
trans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 56854734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).