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

C12H23NO — CID 130730329

IUPAC1,2-dimethyl-2-(3-methylbut-2-enylamino)cyclopentan-1-ol
SMILESCC(C)=CCNC1(C)CCCC1(C)O
InChIInChI=1S/C12H23NO/c1-10(2)6-9-13-11(3)7-5-8-12(11,4)14/h6,13-14H,5,7-9H2,1-4H3
InChIKeyHPLAGTLHIIYWML-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds3

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

1,2-dimethyl-2-(3-methylbut-2-enylamino)cyclopentan-1-ol (PubChem CID 130730329) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1,2-dimethyl-2-(3-methylbut-2-enylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name1,2-dimethyl-2-(3-methylbut-2-enylamino)cyclopentan-1-ol
PubChem CID130730329
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1,2-dimethyl-2-(3-methylbut-2-enylamino)cyclopentan-1-ol
SMILESCC(C)=CCNC1(C)CCCC1(C)O
InChIInChI=1S/C12H23NO/c1-10(2)6-9-13-11(3)7-5-8-12(11,4)14/h6,13-14H,5,7-9H2,1-4H3
InChIKeyHPLAGTLHIIYWML-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-Methyl-2-(2-methylprop-2-enylamino)cyclopentan-1-ol
CID 130532280
2-(2-Bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol
CID 130618733
1,2-Dimethyl-2-(2-methylprop-2-enylamino)cyclopentan-1-ol
CID 130624700
2-(But-3-en-2-ylamino)-1,2-dimethylcyclopentan-1-ol
CID 130648495
2-(Cyclopent-3-en-1-ylamino)-1,2-dimethylcyclopentan-1-ol
CID 130648496
1,2-Dimethyl-2-(prop-2-enylamino)cyclopentan-1-ol
CID 130673524
2-(But-2-ynylamino)-1,2-dimethylcyclopentan-1-ol
CID 130674390
1,2-Dimethyl-2-(propylamino)cyclopentan-1-ol
CID 131057100
1,2-Dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol
CID 131187535
2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol
CID 131234982
2-[(Cyclopent-2-en-1-yl)amino]-1,2-dimethylcyclopentan-1-ol
CID 164645448

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-(3-methylbut-2-enylamino)cyclopentan-1-ol?
The IUPAC name of 1,2-dimethyl-2-(3-methylbut-2-enylamino)cyclopentan-1-ol (CID 130730329) is 1,2-dimethyl-2-(3-methylbut-2-enylamino)cyclopentan-1-ol.
What is the SMILES notation for 1,2-dimethyl-2-(3-methylbut-2-enylamino)cyclopentan-1-ol?
The canonical SMILES for 1,2-dimethyl-2-(3-methylbut-2-enylamino)cyclopentan-1-ol is CC(C)=CCNC1(C)CCCC1(C)O.
What is the InChIKey of 1,2-dimethyl-2-(3-methylbut-2-enylamino)cyclopentan-1-ol?
The InChIKey is HPLAGTLHIIYWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)6-9-13-11(3)7-5-8-12(11,4)14/h6,13-14H,5,7-9H2,1-4H3.
What are the key properties of 1,2-dimethyl-2-(3-methylbut-2-enylamino)cyclopentan-1-ol?
1,2-dimethyl-2-(3-methylbut-2-enylamino)cyclopentan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-(3-methylbut-2-enylamino)cyclopentan-1-ol is sourced from PubChem (CID 130730329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).