3-[(pent-4-enylamino)methyl]cyclopentan-1-ol

C11H21NO — CID 106129726

IUPAC3-[(pent-4-enylamino)methyl]cyclopentan-1-ol
SMILESC=CCCCNCC1CCC(O)C1
InChIInChI=1S/C11H21NO/c1-2-3-4-7-12-9-10-5-6-11(13)8-10/h2,10-13H,1,3-9H2
InChIKeyHNKLCWWYQFUCLP-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.70
Rot. Bonds6

About 3-[(pent-4-enylamino)methyl]cyclopentan-1-ol

3-[(pent-4-enylamino)methyl]cyclopentan-1-ol (PubChem CID 106129726) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-[(pent-4-enylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(pent-4-enylamino)methyl]cyclopentan-1-ol
PubChem CID106129726
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-[(pent-4-enylamino)methyl]cyclopentan-1-ol
SMILESC=CCCCNCC1CCC(O)C1
InChIInChI=1S/C11H21NO/c1-2-3-4-7-12-9-10-5-6-11(13)8-10/h2,10-13H,1,3-9H2
InChIKeyHNKLCWWYQFUCLP-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.70
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-[(but-3-enylamino)methyl]cyclopentan-1-ol
CID 106128983
3-[(hept-6-enylamino)methyl]cyclobutan-1-ol
CID 107006928
3-[(heptylamino)methyl]cyclopentan-1-ol
CID 106120745
3-[(2-ethylsulfanylethylamino)methyl]cyclopentan-1-ol
CID 103275833
3-[(3-hydroxycyclopentyl)methylamino]propanenitrile
CID 106129878
3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol
CID 103529231
N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide
CID 106136308
3-[(2-methylprop-2-enylamino)methyl]cyclopentan-1-ol
CID 106129426
N-(3-cyclopentylpropyl)pent-4-en-1-amine
CID 106010673
3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol
CID 66004235
3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol
CID 106120847
3-[(2-methylpropylamino)methyl]cyclopentan-1-ol
CID 103270977

Frequently Asked Questions

What is the IUPAC name of 3-[(pent-4-enylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(pent-4-enylamino)methyl]cyclopentan-1-ol (CID 106129726) is 3-[(pent-4-enylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(pent-4-enylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(pent-4-enylamino)methyl]cyclopentan-1-ol is C=CCCCNCC1CCC(O)C1.
What is the InChIKey of 3-[(pent-4-enylamino)methyl]cyclopentan-1-ol?
The InChIKey is HNKLCWWYQFUCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-7-12-9-10-5-6-11(13)8-10/h2,10-13H,1,3-9H2.
What are the key properties of 3-[(pent-4-enylamino)methyl]cyclopentan-1-ol?
3-[(pent-4-enylamino)methyl]cyclopentan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pent-4-enylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106129726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).