2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol

C14H27NO — CID 103276827

IUPAC2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCC1CC(C)=CC(C)C1
InChIInChI=1S/C14H27NO/c1-5-14(4,10-16)15-9-13-7-11(2)6-12(3)8-13/h6,11,13,15-16H,5,7-10H2,1-4H3
InChIKeyBPLNWWMBDNSJFA-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.73
Rot. Bonds5

About 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol

2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol (PubChem CID 103276827) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol
PubChem CID103276827
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCC1CC(C)=CC(C)C1
InChIInChI=1S/C14H27NO/c1-5-14(4,10-16)15-9-13-7-11(2)6-12(3)8-13/h6,11,13,15-16H,5,7-10H2,1-4H3
InChIKeyBPLNWWMBDNSJFA-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butylamino]ethanol
CID 46193852
2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]-1,1-difluoropropan-2-ol
CID 105644482
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]-2,2-difluoropropan-1-ol
CID 106173030
2-(3,5-Dimethylcyclohex-3-en-1-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 113797566
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 114093237
(2S,3R)-2-methyl-2-(4-methylpent-3-enyl)pyrrolidin-3-ol
CID 25152080
2-[(5,6-Diethylcyclohex-3-en-1-yl)amino]ethanol
CID 53678619
2-(3,7-Dimethyloct-6-enylamino)-2-methylpropan-1-ol
CID 54502459
2-(2-Cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
CID 69309809
2-[[2-methyl-1-[(8Z,11E)-8-methyloctadeca-8,11-dienyl]cyclobutyl]amino]ethanol
CID 70839967

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol (CID 103276827) is 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol is CCC(C)(CO)NCC1CC(C)=CC(C)C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol?
The InChIKey is BPLNWWMBDNSJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-14(4,10-16)15-9-13-7-11(2)6-12(3)8-13/h6,11,13,15-16H,5,7-10H2,1-4H3.
What are the key properties of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol?
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 103276827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).