[1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol

C14H29NO2 — CID 81419022

IUPAC[1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol
SMILESCCCCOCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H29NO2/c1-2-3-10-17-11-9-15-12-14(13-16)7-5-4-6-8-14/h15-16H,2-13H2,1H3
InChIKeyADPNNAPPJGYXQC-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.34
Rot. Bonds9

About [1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol

[1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol (PubChem CID 81419022) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol
PubChem CID81419022
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol
SMILESCCCCOCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H29NO2/c1-2-3-10-17-11-9-15-12-14(13-16)7-5-4-6-8-14/h15-16H,2-13H2,1H3
InChIKeyADPNNAPPJGYXQC-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol (CID 81419022) is [1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol is CCCCOCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol?
The InChIKey is ADPNNAPPJGYXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-10-17-11-9-15-12-14(13-16)7-5-4-6-8-14/h15-16H,2-13H2,1H3.
What are the key properties of [1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol?
[1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol has a molecular weight of 243.39 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-butoxyethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81419022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).