2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol

C14H29NO2 — CID 65394643

IUPAC2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol
SMILESCC(C)CCOCCC1(CN)CCCCC1O
InChIInChI=1S/C14H29NO2/c1-12(2)6-9-17-10-8-14(11-15)7-4-3-5-13(14)16/h12-13,16H,3-11,15H2,1-2H3
InChIKeyAQGOQKOGGYXDDX-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.32
Rot. Bonds7

About 2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol

2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol (PubChem CID 65394643) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol
PubChem CID65394643
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol
SMILESCC(C)CCOCCC1(CN)CCCCC1O
InChIInChI=1S/C14H29NO2/c1-12(2)6-9-17-10-8-14(11-15)7-4-3-5-13(14)16/h12-13,16H,3-11,15H2,1-2H3
InChIKeyAQGOQKOGGYXDDX-UHFFFAOYSA-N
XLogP2.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.32
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-(3-methylbutoxy)ethyl]cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol (CID 65394643) is 2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol is CC(C)CCOCCC1(CN)CCCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol?
The InChIKey is AQGOQKOGGYXDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2)6-9-17-10-8-14(11-15)7-4-3-5-13(14)16/h12-13,16H,3-11,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol?
2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.32, 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-(3-methylbutoxy)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 65394643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).