3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol

C13H23NO — CID 65105673

IUPAC3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CC2CC=CC21
InChIInChI=1S/C13H23NO/c1-3-13(15,4-2)9-14-12-8-10-6-5-7-11(10)12/h5,7,10-12,14-15H,3-4,6,8-9H2,1-2H3
InChIKeyMBCYGNOXCASXJH-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.09
Rot. Bonds5

About 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol

3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol (PubChem CID 65105673) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol
PubChem CID65105673
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CC2CC=CC21
InChIInChI=1S/C13H23NO/c1-3-13(15,4-2)9-14-12-8-10-6-5-7-11(10)12/h5,7,10-12,14-15H,3-4,6,8-9H2,1-2H3
InChIKeyMBCYGNOXCASXJH-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
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

(3S,6Z)-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azocin-3-ol
CID 11206011
N-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43222599
2-(6-Bicyclo[3.2.0]hept-3-enylamino)ethanol
CID 43222667
3-(6-Bicyclo[3.2.0]hept-3-enylamino)propan-1-ol
CID 43222698
2-(6-Bicyclo[3.2.0]hept-3-enylamino)butan-1-ol
CID 43222769
1-(Bicyclo[3.2.0]hept-3-en-6-ylamino)-2-propanol
CID 43223084
N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43223100
2-(6-Bicyclo[3.2.0]hept-3-enylamino)propan-1-ol
CID 43776371
N-(2-ethoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43778401
2-(6-Bicyclo[3.2.0]hept-3-enylamino)-4-methylpentan-1-ol
CID 61247144
N-(1-ethoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
CID 61822299
2-(6-Bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol
CID 63295394

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol (CID 65105673) is 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol is CCC(O)(CC)CNC1CC2CC=CC21.
What is the InChIKey of 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol?
The InChIKey is MBCYGNOXCASXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-13(15,4-2)9-14-12-8-10-6-5-7-11(10)12/h5,7,10-12,14-15H,3-4,6,8-9H2,1-2H3.
What are the key properties of 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol?
3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol has a molecular weight of 209.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65105673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).