2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol

C11H21NO — CID 43207245

IUPAC2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC1CC=CCC1
InChIInChI=1S/C11H21NO/c1-11(2,9-13)12-8-10-6-4-3-5-7-10/h3-4,10,12-13H,5-9H2,1-2H3
InChIKeyNTEVKKSKIMERQJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.70
Rot. Bonds4

About 2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol

2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol (PubChem CID 43207245) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol
PubChem CID43207245
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC1CC=CCC1
InChIInChI=1S/C11H21NO/c1-11(2,9-13)12-8-10-6-4-3-5-7-10/h3-4,10,12-13H,5-9H2,1-2H3
InChIKeyNTEVKKSKIMERQJ-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.70
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
[(Cyclohex-3-en-1-yl)methyl](2-methoxyethyl)amine
CID 43180514
Cambridge id 5511273
CID 2818347
Cambridge id 5428864
CID 2846038
(-)-Pseudoephedrinhydrochlorid
CID 129629514
(1S,2S)-1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
CID 129629515
(1s,2s)-Pseudoephedrine hydrochloride
CID 129847299
2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
4-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3,3-dimethylbutan-1-ol
CID 97240121
(2S)-3-(4-fluorocyclohexa-2,4-dien-1-yl)-2-(methylamino)propan-1-ol
CID 70320951
1-Cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
CID 134924288
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol (CID 43207245) is 2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol is CC(C)(CO)NCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol?
The InChIKey is NTEVKKSKIMERQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,9-13)12-8-10-6-4-3-5-7-10/h3-4,10,12-13H,5-9H2,1-2H3.
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol?
2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 43207245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).