3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol

C13H25NO — CID 106174156

IUPAC3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCC1=CCCC1
InChIInChI=1S/C13H25NO/c1-3-13(15,4-2)11-14-10-9-12-7-5-6-8-12/h7,14-15H,3-6,8-11H2,1-2H3
InChIKeyABUFZNRNMDQPJL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds7

About 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol

3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol (PubChem CID 106174156) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol
PubChem CID106174156
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCC1=CCCC1
InChIInChI=1S/C13H25NO/c1-3-13(15,4-2)11-14-10-9-12-7-5-6-8-12/h7,14-15H,3-6,8-11H2,1-2H3
InChIKeyABUFZNRNMDQPJL-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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

2-methyl-1-[[(Z)-octadec-9-enyl]amino]propan-2-ol
CID 146623905
(4Z)-4-(azepan-4-ylidene)-2-methylbutan-2-ol
CID 166706406
1-(2-{[(2E)-3,7-dimethyl-2,6-octadien-1-yl]amino}ethyl)cyclopentanol
CID 39746149
1-[2-(6-Methylhept-5-en-2-ylamino)ethyl]cyclopentan-1-ol
CID 56859408
1-{[(Cyclohex-3-en-1-yl)methyl]amino}-2-methylpropan-2-ol
CID 61950742
1-[2-(Cyclohexen-1-yl)ethylamino]-2-methylpropan-2-ol
CID 62325262
3-[(Cyclohex-3-en-1-ylmethylamino)methyl]pentan-3-ol
CID 65105296
1-(Cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol
CID 65107748
1-[[2-(Cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65211211
3-[2-(Cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
CID 65333232
3-(Cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol
CID 65337526
3-(Cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol
CID 65702501

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol (CID 106174156) is 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCCC1=CCCC1.
What is the InChIKey of 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol?
The InChIKey is ABUFZNRNMDQPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-13(15,4-2)11-14-10-9-12-7-5-6-8-12/h7,14-15H,3-6,8-11H2,1-2H3.
What are the key properties of 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol?
3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 106174156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).