1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol

C14H27NO — CID 79128708

IUPAC1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol
SMILESCCC1CCCC(CN)(C(C)(O)C2CC2)C1
InChIInChI=1S/C14H27NO/c1-3-11-5-4-8-14(9-11,10-15)13(2,16)12-6-7-12/h11-12,16H,3-10,15H2,1-2H3
InChIKeyALUISFKALBUMQF-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.69
Rot. Bonds4

About 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol

1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol (PubChem CID 79128708) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol
PubChem CID79128708
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol
SMILESCCC1CCCC(CN)(C(C)(O)C2CC2)C1
InChIInChI=1S/C14H27NO/c1-3-11-5-4-8-14(9-11,10-15)13(2,16)12-6-7-12/h11-12,16H,3-10,15H2,1-2H3
InChIKeyALUISFKALBUMQF-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol
CID 79126503
2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol
CID 113493350
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol
CID 79125169
2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol
CID 79126495
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(3-methylthiophen-2-yl)ethanol
CID 79124585
2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal
CID 79125297
[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465
1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol
CID 79126059
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol
CID 79139004
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile
CID 114795076

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol?
The IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol (CID 79128708) is 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol?
The canonical SMILES for 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol is CCC1CCCC(CN)(C(C)(O)C2CC2)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol?
The InChIKey is ALUISFKALBUMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-11-5-4-8-14(9-11,10-15)13(2,16)12-6-7-12/h11-12,16H,3-10,15H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol?
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol has a molecular weight of 225.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol is sourced from PubChem (CID 79128708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).