[1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol

C14H27NO2 — CID 114183548

IUPAC[1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol
SMILESC=CCCOCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-10-17-11-9-15-12-14(13-16)7-5-4-6-8-14/h2,15-16H,1,3-13H2
InChIKeyBQZLFNSAAFBFGW-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.11
Rot. Bonds9

About [1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol

[1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol (PubChem CID 114183548) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol
PubChem CID114183548
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol
SMILESC=CCCOCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-10-17-11-9-15-12-14(13-16)7-5-4-6-8-14/h2,15-16H,1,3-13H2
InChIKeyBQZLFNSAAFBFGW-UHFFFAOYSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.11
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]cyclohexyl]methanol
CID 81412181
[1-[(2-Ethoxyethylamino)methyl]cyclohexyl]methanol
CID 81412729
[1-[(2-Butoxyethylamino)methyl]cyclohexyl]methanol
CID 81419022
1-[(2-But-3-enoxyethylamino)methyl]cyclohexan-1-ol
CID 103852870
[1-[(But-3-enylamino)methyl]cyclohexyl]methanol
CID 103966311
[1-[(Pent-4-enylamino)methyl]cyclohexyl]methanol
CID 103966412
[1-[(2-Propoxyethylamino)methyl]cyclohexyl]methanol
CID 106452436
[1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol
CID 113359587
[1-[(Hept-6-enylamino)methyl]cyclohexyl]methanol
CID 113904246
[1-[[2-(2-Methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol
CID 114465704

Frequently Asked Questions

What is the IUPAC name of [1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol (CID 114183548) is [1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol is C=CCCOCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol?
The InChIKey is BQZLFNSAAFBFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-10-17-11-9-15-12-14(13-16)7-5-4-6-8-14/h2,15-16H,1,3-13H2.
What are the key properties of [1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol?
[1-[(2-but-3-enoxyethylamino)methyl]cyclohexyl]methanol has a molecular weight of 241.37 g/mol, XLogP of 2.11, 9 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]cyclohexyl]methanol is sourced from PubChem (CID 114183548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).