2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol

C13H27NO2 — CID 103376889

IUPAC2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol
SMILESCC(C)(C)C1CCCCC1(CN)OCCO
InChIInChI=1S/C13H27NO2/c1-12(2,3)11-6-4-5-7-13(11,10-14)16-9-8-15/h11,15H,4-10,14H2,1-3H3
InChIKeyMMGOYQQHHMXGHN-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.93
Rot. Bonds4

About 2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol

2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol (PubChem CID 103376889) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol
PubChem CID103376889
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol
SMILESCC(C)(C)C1CCCCC1(CN)OCCO
InChIInChI=1S/C13H27NO2/c1-12(2,3)11-6-4-5-7-13(11,10-14)16-9-8-15/h11,15H,4-10,14H2,1-3H3
InChIKeyMMGOYQQHHMXGHN-UHFFFAOYSA-N
XLogP1.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-tert-butyl-1-ethoxycyclohexyl)methanamine
CID 66072157
2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol
CID 130555490
3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol
CID 106874712
(1-ethoxy-2-methoxycyclohexyl)methanamine
CID 106874703
3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol
CID 103377338
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114
2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine
CID 82239429
4-tert-butylspiro[4.4]nonane
CID 140778111
1-(2-tert-butyl-1-ethylcyclononyl)ethanamine
CID 155042736
3-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]oxypropan-1-ol
CID 103377317
2-tert-butyl-1-cycloheptylcyclohexan-1-amine
CID 82931284
2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol
CID 106874731

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol?
The IUPAC name of 2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol (CID 103376889) is 2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol.
What is the SMILES notation for 2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol?
The canonical SMILES for 2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol is CC(C)(C)C1CCCCC1(CN)OCCO.
What is the InChIKey of 2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol?
The InChIKey is MMGOYQQHHMXGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2,3)11-6-4-5-7-13(11,10-14)16-9-8-15/h11,15H,4-10,14H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol?
2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol has a molecular weight of 229.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol is sourced from PubChem (CID 103376889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).