2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol

C13H27NO2 — CID 65392778

IUPAC2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol
SMILESCCCCOCCC1(CN)CCCCC1O
InChIInChI=1S/C13H27NO2/c1-2-3-9-16-10-8-13(11-14)7-5-4-6-12(13)15/h12,15H,2-11,14H2,1H3
InChIKeyIOYYKDQSBAJHGJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.07
Rot. Bonds7

About 2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol

2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol (PubChem CID 65392778) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol
PubChem CID65392778
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol
SMILESCCCCOCCC1(CN)CCCCC1O
InChIInChI=1S/C13H27NO2/c1-2-3-9-16-10-8-13(11-14)7-5-4-6-12(13)15/h12,15H,2-11,14H2,1H3
InChIKeyIOYYKDQSBAJHGJ-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.07
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 2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol (CID 65392778) is 2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol is CCCCOCCC1(CN)CCCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol?
The InChIKey is IOYYKDQSBAJHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-3-9-16-10-8-13(11-14)7-5-4-6-12(13)15/h12,15H,2-11,14H2,1H3.
What are the key properties of 2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol?
2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol is sourced from PubChem (CID 65392778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).