3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol

C12H21NO — CID 103952193

IUPAC3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NC1C=CCCC1
InChIInChI=1S/C12H21NO/c1-12(2)10(8-11(12)14)13-9-6-4-3-5-7-9/h4,6,9-11,13-14H,3,5,7-8H2,1-2H3
InChIKeyMSBWYDOVJUWJBZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.84
Rot. Bonds2

About 3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol

3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 103952193) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol
PubChem CID103952193
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NC1C=CCCC1
InChIInChI=1S/C12H21NO/c1-12(2)10(8-11(12)14)13-9-6-4-3-5-7-9/h4,6,9-11,13-14H,3,5,7-8H2,1-2H3
InChIKeyMSBWYDOVJUWJBZ-UHFFFAOYSA-N
XLogP1.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.84
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

[[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol
CID 67121495
5-(2-Hydroxyethylamino)-2-methylcyclohex-3-en-1-ol
CID 123971103
2-(2,2-Dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol
CID 141116192
1-[6-(Methylamino)cyclohex-3-en-1-yl]ethanol
CID 143631192
(2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol
CID 11367215
(2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol
CID 15507370
(2S,3S,4S,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol
CID 15507371
[1-({[(2E)-3,7-dimethyl-2,6-octadien-1-yl]amino}methyl)cyclobutyl]methanol
CID 39819326
(1-{[(1,5-Dimethyl-4-hexen-1-yl)amino]methyl}cyclobutyl)methanol
CID 56859992
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64851356
N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852160
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]cyclohex-3-en-1-amine
CID 65702059

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol (CID 103952193) is 3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NC1C=CCCC1.
What is the InChIKey of 3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is MSBWYDOVJUWJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2)10(8-11(12)14)13-9-6-4-3-5-7-9/h4,6,9-11,13-14H,3,5,7-8H2,1-2H3.
What are the key properties of 3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol?
3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 103952193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).