1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol

C13H25NO — CID 103158307

IUPAC1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol
SMILESC=CCC(C)NCC(O)CC1CCCC1
InChIInChI=1S/C13H25NO/c1-3-6-11(2)14-10-13(15)9-12-7-4-5-8-12/h3,11-15H,1,4-10H2,2H3
InChIKeyHESDGJUQZSOITE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds7

About 1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol

1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol (PubChem CID 103158307) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol
PubChem CID103158307
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol
SMILESC=CCC(C)NCC(O)CC1CCCC1
InChIInChI=1S/C13H25NO/c1-3-6-11(2)14-10-13(15)9-12-7-4-5-8-12/h3,11-15H,1,4-10H2,2H3
InChIKeyHESDGJUQZSOITE-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
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

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CID 129847194
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5-Cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918995
(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
CID 70227186
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CID 91011969
2-Methyl-1-pyrrolidin-2-ylbut-3-en-1-ol
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3-Cyclohex-2-en-1-yl-2-(propan-2-ylamino)propan-1-ol
CID 126517201
(1R)-1-[(4S)-4-methyl-5-prop-2-enylpyrrolidin-2-yl]ethanol
CID 130455913
1-[(2S)-4-ethenylpyrrolidin-2-yl]propan-1-ol
CID 144046776
1-(4-Methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol
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CID 155337272

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol (CID 103158307) is 1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol is C=CCC(C)NCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol?
The InChIKey is HESDGJUQZSOITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-6-11(2)14-10-13(15)9-12-7-4-5-8-12/h3,11-15H,1,4-10H2,2H3.
What are the key properties of 1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol?
1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol is sourced from PubChem (CID 103158307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).