2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol

C11H21NO — CID 103522628

IUPAC2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol
SMILESCC(C)=CCNC1CC(O)C1(C)C
InChIInChI=1S/C11H21NO/c1-8(2)5-6-12-9-7-10(13)11(9,3)4/h5,9-10,12-13H,6-7H2,1-4H3
InChIKeyMUPAPBGMXMQJCQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.70
Rot. Bonds3

About 2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol

2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol (PubChem CID 103522628) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol
PubChem CID103522628
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol
SMILESCC(C)=CCNC1CC(O)C1(C)C
InChIInChI=1S/C11H21NO/c1-8(2)5-6-12-9-7-10(13)11(9,3)4/h5,9-10,12-13H,6-7H2,1-4H3
InChIKeyMUPAPBGMXMQJCQ-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

trans-(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutan-1-ol
CID 146535076
cis-(1R,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutan-1-ol
CID 169587975
(1-{[(1,5-Dimethyl-4-hexen-1-yl)amino]methyl}cyclobutyl)methanol
CID 56859992
3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine
CID 64851306
3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 103522760
4,4-Dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol
CID 103949823
4,4-Dimethyl-3-(prop-2-enylamino)pentan-1-ol
CID 103949835
3-(Cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 103952193
3-[2-(Cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103952213
3-(4-Hydroxypentan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 104105922
4,4-Dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol
CID 104628073
3-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol
CID 104628148

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol (CID 103522628) is 2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol is CC(C)=CCNC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol?
The InChIKey is MUPAPBGMXMQJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)5-6-12-9-7-10(13)11(9,3)4/h5,9-10,12-13H,6-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol?
2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol is sourced from PubChem (CID 103522628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).