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

C12H23NO — CID 106168940

IUPAC3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol
SMILESCC(NCCC1=CCCC1)C(C)(C)O
InChIInChI=1S/C12H23NO/c1-10(12(2,3)14)13-9-8-11-6-4-5-7-11/h6,10,13-14H,4-5,7-9H2,1-3H3
InChIKeyKVLKOSZBTGCXQK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds5

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

3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol (PubChem CID 106168940) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol
PubChem CID106168940
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol
SMILESCC(NCCC1=CCCC1)C(C)(C)O
InChIInChI=1S/C12H23NO/c1-10(12(2,3)14)13-9-8-11-6-4-5-7-11/h6,10,13-14H,4-5,7-9H2,1-3H3
InChIKeyKVLKOSZBTGCXQK-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Dimethylamino)-2-(6-methyloct-6-en-3-ylamino)propan-2-ol
CID 123264743
1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol
CID 149162872
2,4-Dimethyl-3-(nonylamino)hex-4-en-2-ol
CID 150708407
3-(Decylamino)-2,4-dimethylhex-4-en-2-ol
CID 161540807
Ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol
CID 177317142
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-[(6-Bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol
CID 65105673
1-(6-Bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol
CID 65107917
3-[2-(Cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
CID 65333232
3-(Cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol
CID 65337526
1-(Cyclohex-3-en-1-ylamino)-2-methylpropan-2-ol
CID 65702134

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol (CID 106168940) is 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol is CC(NCCC1=CCCC1)C(C)(C)O.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol?
The InChIKey is KVLKOSZBTGCXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(12(2,3)14)13-9-8-11-6-4-5-7-11/h6,10,13-14H,4-5,7-9H2,1-3H3.
What are the key properties of 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol?
3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 5 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-methylbutan-2-ol is sourced from PubChem (CID 106168940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).