1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol

C12H23NO — CID 103158328

IUPAC1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol
SMILESC=CC(C)NCC(O)CC1CCCC1
InChIInChI=1S/C12H23NO/c1-3-10(2)13-9-12(14)8-11-6-4-5-7-11/h3,10-14H,1,4-9H2,2H3
InChIKeyCOIJTAVWQJRPKW-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds6

About 1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol

1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol (PubChem CID 103158328) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol
PubChem CID103158328
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol
SMILESC=CC(C)NCC(O)CC1CCCC1
InChIInChI=1S/C12H23NO/c1-3-10(2)13-9-12(14)8-11-6-4-5-7-11/h3,10-14H,1,4-9H2,2H3
InChIKeyCOIJTAVWQJRPKW-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol
CID 103157267
1-cyclopentyl-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 103157536
3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide
CID 103158365
1-cyclopentyl-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propan-2-ol
CID 103157490
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol
CID 106160676
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol
CID 103158383
1-(but-3-enylamino)-3-cyclopentylpropan-2-ol
CID 103158305
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol
CID 103158372
1-cyclohexyl-4-methylpent-4-en-2-ol
CID 115816975
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287

Frequently Asked Questions

What is the IUPAC name of 1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol (CID 103158328) is 1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol is C=CC(C)NCC(O)CC1CCCC1.
What is the InChIKey of 1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol?
The InChIKey is COIJTAVWQJRPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-10(2)13-9-12(14)8-11-6-4-5-7-11/h3,10-14H,1,4-9H2,2H3.
What are the key properties of 1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol?
1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103158328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).