[1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol

C17H31NO — CID 103277032

IUPAC[1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCC1=CC(C)CC(CNCC2(CO)CCCCC2)C1
InChIInChI=1S/C17H31NO/c1-14-8-15(2)10-16(9-14)11-18-12-17(13-19)6-4-3-5-7-17/h8,14,16,18-19H,3-7,9-13H2,1-2H3
InChIKeyXJMUBLZUMQWXRQ-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.51
Rot. Bonds5

About [1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol

[1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 103277032) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is [1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol
PubChem CID103277032
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name[1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCC1=CC(C)CC(CNCC2(CO)CCCCC2)C1
InChIInChI=1S/C17H31NO/c1-14-8-15(2)10-16(9-14)11-18-12-17(13-19)6-4-3-5-7-17/h8,14,16,18-19H,3-7,9-13H2,1-2H3
InChIKeyXJMUBLZUMQWXRQ-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

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CID 68083440
1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-2-(4-ethylcyclohexen-1-yl)ethanol
CID 68097861
(4-Pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol
CID 70034791
(1S)-3-[(5R)-5-ethylcyclohexen-1-yl]-1-[4-(methylaminomethyl)cyclohexyl]propan-1-ol
CID 70325290
(1S)-1-[4-(butylaminomethyl)cyclohexyl]-3-(5-ethylcyclohexen-1-yl)propan-1-ol
CID 70325306
(Z)-4-(5,8a-dimethyl-2,3,4,4a-tetrahydro-1H-isoquinolin-4-yl)-2,3-dimethylhex-4-en-1-ol
CID 71187751
3-Methyl-3-[[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methylamino]methyl]pentan-1-ol
CID 117904070
3-[[(1S)-4-methylcyclohex-3-en-1-yl]methylamino]propan-1-ol
CID 142067814
1-(2,2-Dimethylbutylamino)-5-(10-ethenyl-8-methyl-4-tricyclo[7.4.1.05,14]tetradeca-3,5,7,9,11,12-hexaenyl)pentan-1-ol;molecular hydrogen
CID 143539682
(1R*,2R*)-2-{[(1,5-dimethyl-4-hexen-1-yl)amino]methyl}cyclohexanol
CID 56854734
2-[(Cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol
CID 64929066
[1-[[2-(Cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81411298

Frequently Asked Questions

What is the IUPAC name of [1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol (CID 103277032) is [1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol is CC1=CC(C)CC(CNCC2(CO)CCCCC2)C1.
What is the InChIKey of [1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is XJMUBLZUMQWXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-14-8-15(2)10-16(9-14)11-18-12-17(13-19)6-4-3-5-7-17/h8,14,16,18-19H,3-7,9-13H2,1-2H3.
What are the key properties of [1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol?
[1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 265.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103277032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).