4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol

C12H23NO — CID 106173928

IUPAC4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCCC1=CCCC1
InChIInChI=1S/C12H23NO/c1-12(2,14)8-10-13-9-7-11-5-3-4-6-11/h5,13-14H,3-4,6-10H2,1-2H3
InChIKeyFICFXVFCNGEQPG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds6

About 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol

4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol (PubChem CID 106173928) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol
PubChem CID106173928
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCCC1=CCCC1
InChIInChI=1S/C12H23NO/c1-12(2,14)8-10-13-9-7-11-5-3-4-6-11/h5,13-14H,3-4,6-10H2,1-2H3
InChIKeyFICFXVFCNGEQPG-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-(azepan-4-ylidene)-2-methylbutan-2-ol
CID 166706406
1-(2-{[(2E)-3,7-dimethyl-2,6-octadien-1-yl]amino}ethyl)cyclopentanol
CID 39746149
1-[2-(6-Methylhept-5-en-2-ylamino)ethyl]cyclopentan-1-ol
CID 56859408
1-[2-(Cyclohexen-1-yl)ethylamino]-2-methylpropan-2-ol
CID 62325262
3-[2-(Cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
CID 65333232
1-[2-(3,7-Dimethylocta-2,6-dienylamino)ethyl]cyclopentan-1-ol
CID 72083784
1-(Ethylamino)-3,5-dimethylhex-4-en-3-ol
CID 79179536
3,5-Dimethyl-1-(propylamino)hex-4-en-3-ol
CID 79179733
4-(Cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol
CID 79355256
4-[2-(Cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
CID 79359601
4-(Cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol
CID 79360099
N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 103033295

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol (CID 106173928) is 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol is CC(C)(O)CCNCCC1=CCCC1.
What is the InChIKey of 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol?
The InChIKey is FICFXVFCNGEQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,14)8-10-13-9-7-11-5-3-4-6-11/h5,13-14H,3-4,6-10H2,1-2H3.
What are the key properties of 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol?
4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 106173928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).