3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol

C13H23NO — CID 103952213

IUPAC3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCCC1=CCCC1
InChIInChI=1S/C13H23NO/c1-13(2)11(9-12(13)15)14-8-7-10-5-3-4-6-10/h5,11-12,14-15H,3-4,6-9H2,1-2H3
InChIKeyZOTIOKSUHXTTLH-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.24
Rot. Bonds4

About 3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol

3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 103952213) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID103952213
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCCC1=CCCC1
InChIInChI=1S/C13H23NO/c1-13(2)11(9-12(13)15)14-8-7-10-5-3-4-6-10/h5,11-12,14-15H,3-4,6-9H2,1-2H3
InChIKeyZOTIOKSUHXTTLH-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.24
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
[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-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64850524
4-(6-Bicyclo[3.2.0]hept-3-enylamino)butan-2-ol
CID 64912399
[1-[(3,7-Dimethylocta-2,6-dienylamino)methyl]cyclobutyl]methanol
CID 72083780
[(1R,4S)-4-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopent-2-en-1-yl]methanol
CID 86787496
[(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol
CID 99821469
[(1R,4S)-4-[[(1S,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol
CID 99821470
[(1R,4S)-4-[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol
CID 99821471
[(1R,4S)-4-[[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol
CID 99821472
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]cyclobutan-1-ol
CID 103276871

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol (CID 103952213) is 3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NCCC1=CCCC1.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is ZOTIOKSUHXTTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(2)11(9-12(13)15)14-8-7-10-5-3-4-6-10/h5,11-12,14-15H,3-4,6-9H2,1-2H3.
What are the key properties of 3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 103952213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).