1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol

C12H23NO2 — CID 106402029

IUPAC1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol
SMILESC=CCCOCCNCC1(O)CCCC1
InChIInChI=1S/C12H23NO2/c1-2-3-9-15-10-8-13-11-12(14)6-4-5-7-12/h2,13-14H,1,3-11H2
InChIKeyWEOBCMIFYOETFI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.47
Rot. Bonds8

About 1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol

1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol (PubChem CID 106402029) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol
PubChem CID106402029
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol
SMILESC=CCCOCCNCC1(O)CCCC1
InChIInChI=1S/C12H23NO2/c1-2-3-9-15-10-8-13-11-12(14)6-4-5-7-12/h2,13-14H,1,3-11H2
InChIKeyWEOBCMIFYOETFI-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-but-3-enoxy-N-(cyclopentylmethyl)ethanamine
CID 62598166
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 65105209
1-[(Pent-4-enylamino)methyl]cyclopentan-1-ol
CID 65111065
1-[(But-3-enylamino)methyl]cyclopentan-1-ol
CID 65111685
1-[(2-But-3-enoxyethylamino)methyl]cyclohexan-1-ol
CID 103852870
1-(2-But-3-enoxyethylamino)-3-cyclopentylpropan-2-ol
CID 106401337
3-[(2-But-3-enoxyethylamino)methyl]pentan-3-ol
CID 106401805
1-[(Hept-6-enylamino)methyl]cyclopentan-1-ol
CID 107006900
1-(2-But-3-enoxyethyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 109623053
1-[(2-But-3-enoxyethylamino)methyl]cycloheptan-1-ol
CID 114184097
1-(1-ethoxycyclopentyl)-N-ethylprop-2-en-1-amine
CID 116762145
1-(1-ethoxycyclopentyl)-N-propylprop-2-en-1-amine
CID 116762364

Frequently Asked Questions

What is the IUPAC name of 1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol (CID 106402029) is 1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol is C=CCCOCCNCC1(O)CCCC1.
What is the InChIKey of 1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol?
The InChIKey is WEOBCMIFYOETFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-9-15-10-8-13-11-12(14)6-4-5-7-12/h2,13-14H,1,3-11H2.
What are the key properties of 1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol?
1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-but-3-enoxyethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106402029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).