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

C14H27NO2 — CID 114184097

IUPAC1-[(2-but-3-enoxyethylamino)methyl]cycloheptan-1-ol
SMILESC=CCCOCCNCC1(O)CCCCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-11-17-12-10-15-13-14(16)8-6-4-5-7-9-14/h2,15-16H,1,3-13H2
InChIKeyJSTLFTCEHAYWIP-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.25
Rot. Bonds8

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

1-[(2-but-3-enoxyethylamino)methyl]cycloheptan-1-ol (PubChem CID 114184097) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[(2-but-3-enoxyethylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2-but-3-enoxyethylamino)methyl]cycloheptan-1-ol
PubChem CID114184097
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[(2-but-3-enoxyethylamino)methyl]cycloheptan-1-ol
SMILESC=CCCOCCNCC1(O)CCCCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-11-17-12-10-15-13-14(16)8-6-4-5-7-9-14/h2,15-16H,1,3-13H2
InChIKeyJSTLFTCEHAYWIP-UHFFFAOYSA-N
XLogP2.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.25
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-[(Prop-2-enylamino)methyl]cycloheptan-1-ol
CID 60710696
1-[(2-Ethoxyethylamino)methyl]cycloheptan-1-ol
CID 60909097
1-[(2-Butoxyethylamino)methyl]cycloheptan-1-ol
CID 61171267
1-[(Pent-4-enylamino)methyl]cycloheptan-1-ol
CID 65123060
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123371
1-[(But-3-enylamino)methyl]cycloheptan-1-ol
CID 65123500
1-[(2-But-3-enoxyethylamino)methyl]cyclohexan-1-ol
CID 103852870
1-(2-But-3-enoxyethylamino)-3-cyclopentylpropan-2-ol
CID 106401337
1-[(2-But-3-enoxyethylamino)methyl]cyclopentan-1-ol
CID 106402029
1-[(2-Propoxyethylamino)methyl]cycloheptan-1-ol
CID 106452123
1-[(Hept-6-enylamino)methyl]cycloheptan-1-ol
CID 107006904
1-(2-But-3-enoxyethyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 109623060

Frequently Asked Questions

What is the IUPAC name of 1-[(2-but-3-enoxyethylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(2-but-3-enoxyethylamino)methyl]cycloheptan-1-ol (CID 114184097) is 1-[(2-but-3-enoxyethylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(2-but-3-enoxyethylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(2-but-3-enoxyethylamino)methyl]cycloheptan-1-ol is C=CCCOCCNCC1(O)CCCCCC1.
What is the InChIKey of 1-[(2-but-3-enoxyethylamino)methyl]cycloheptan-1-ol?
The InChIKey is JSTLFTCEHAYWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-11-17-12-10-15-13-14(16)8-6-4-5-7-9-14/h2,15-16H,1,3-13H2.
What are the key properties of 1-[(2-but-3-enoxyethylamino)methyl]cycloheptan-1-ol?
1-[(2-but-3-enoxyethylamino)methyl]cycloheptan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 2.25, 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]cycloheptan-1-ol is sourced from PubChem (CID 114184097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).