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

C13H25NO2 — CID 103852870

IUPAC1-[(2-but-3-enoxyethylamino)methyl]cyclohexan-1-ol
SMILESC=CCCOCCNCC1(O)CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-3-10-16-11-9-14-12-13(15)7-5-4-6-8-13/h2,14-15H,1,3-12H2
InChIKeyVWKZWRNJTRTCIA-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.86
Rot. Bonds8

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

1-[(2-but-3-enoxyethylamino)methyl]cyclohexan-1-ol (PubChem CID 103852870) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[(2-but-3-enoxyethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-but-3-enoxyethylamino)methyl]cyclohexan-1-ol
PubChem CID103852870
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[(2-but-3-enoxyethylamino)methyl]cyclohexan-1-ol
SMILESC=CCCOCCNCC1(O)CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-3-10-16-11-9-14-12-13(15)7-5-4-6-8-13/h2,14-15H,1,3-12H2
InChIKeyVWKZWRNJTRTCIA-UHFFFAOYSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.86
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

1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 65106961
1-[(Pent-4-enylamino)methyl]cyclohexan-1-ol
CID 65108686
1-[(But-3-enylamino)methyl]cyclohexan-1-ol
CID 65109118
1-(2-But-3-enoxyethylamino)-3-cyclopentylpropan-2-ol
CID 106401337
1-[(2-But-3-enoxyethylamino)methyl]cyclopentan-1-ol
CID 106402029
1-[(Hept-6-enylamino)methyl]cyclohexan-1-ol
CID 107006901
4-[(Hept-6-enylamino)methyl]oxan-4-ol
CID 107006982
[1-[(2-But-3-enoxyethylamino)methyl]cyclohexyl]methanol
CID 114183548
1-[(2-But-3-enoxyethylamino)methyl]cycloheptan-1-ol
CID 114184097
1-[[2-(2-Methylprop-2-enoxy)ethylamino]methyl]cyclohexan-1-ol
CID 115698278
2-Methyl-1-morpholin-3-ylpent-4-en-2-ol
CID 116009799
1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine
CID 116764002

Frequently Asked Questions

What is the IUPAC name of 1-[(2-but-3-enoxyethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-but-3-enoxyethylamino)methyl]cyclohexan-1-ol (CID 103852870) is 1-[(2-but-3-enoxyethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-but-3-enoxyethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-but-3-enoxyethylamino)methyl]cyclohexan-1-ol is C=CCCOCCNCC1(O)CCCCC1.
What is the InChIKey of 1-[(2-but-3-enoxyethylamino)methyl]cyclohexan-1-ol?
The InChIKey is VWKZWRNJTRTCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-3-10-16-11-9-14-12-13(15)7-5-4-6-8-13/h2,14-15H,1,3-12H2.
What are the key properties of 1-[(2-but-3-enoxyethylamino)methyl]cyclohexan-1-ol?
1-[(2-but-3-enoxyethylamino)methyl]cyclohexan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.86, 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]cyclohexan-1-ol is sourced from PubChem (CID 103852870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).