3-[(but-3-enylamino)methyl]cyclopentan-1-ol

C10H19NO — CID 106128983

IUPAC3-[(but-3-enylamino)methyl]cyclopentan-1-ol
SMILESC=CCCNCC1CCC(O)C1
InChIInChI=1S/C10H19NO/c1-2-3-6-11-8-9-4-5-10(12)7-9/h2,9-12H,1,3-8H2
InChIKeyWTISRLAFMFEKNA-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.31
Rot. Bonds5

About 3-[(but-3-enylamino)methyl]cyclopentan-1-ol

3-[(but-3-enylamino)methyl]cyclopentan-1-ol (PubChem CID 106128983) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[(but-3-enylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(but-3-enylamino)methyl]cyclopentan-1-ol
PubChem CID106128983
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-[(but-3-enylamino)methyl]cyclopentan-1-ol
SMILESC=CCCNCC1CCC(O)C1
InChIInChI=1S/C10H19NO/c1-2-3-6-11-8-9-4-5-10(12)7-9/h2,9-12H,1,3-8H2
InChIKeyWTISRLAFMFEKNA-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.31
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

3-[(pent-4-enylamino)methyl]cyclopentan-1-ol
CID 106129726
3-[(hept-6-enylamino)methyl]cyclobutan-1-ol
CID 107006928
3-[(2-ethylsulfanylethylamino)methyl]cyclopentan-1-ol
CID 103275833
3-[(3-hydroxycyclopentyl)methylamino]propanenitrile
CID 106129878
3-[(heptylamino)methyl]cyclopentan-1-ol
CID 106120745
3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol
CID 103529231
3-[(2-methylprop-2-enylamino)methyl]cyclopentan-1-ol
CID 106129426
3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol
CID 106120847
3-[(2-methylpropylamino)methyl]cyclopentan-1-ol
CID 103270977
N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide
CID 106136308
2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419
3-[(1-cyclopropylpropan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271439

Frequently Asked Questions

What is the IUPAC name of 3-[(but-3-enylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(but-3-enylamino)methyl]cyclopentan-1-ol (CID 106128983) is 3-[(but-3-enylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(but-3-enylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(but-3-enylamino)methyl]cyclopentan-1-ol is C=CCCNCC1CCC(O)C1.
What is the InChIKey of 3-[(but-3-enylamino)methyl]cyclopentan-1-ol?
The InChIKey is WTISRLAFMFEKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-6-11-8-9-4-5-10(12)7-9/h2,9-12H,1,3-8H2.
What are the key properties of 3-[(but-3-enylamino)methyl]cyclopentan-1-ol?
3-[(but-3-enylamino)methyl]cyclopentan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(but-3-enylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106128983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).