ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate

C14H27NO2 — CID 106487604

IUPACethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate
SMILESCCOC(=O)C(CC)(CN)CC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-3-14(11-15,13(16)17-4-2)10-12-8-6-5-7-9-12/h12H,3-11,15H2,1-2H3
InChIKeyYSIIOMZAJVCRSJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.88
Rot. Bonds6

About ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate

ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate (PubChem CID 106487604) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate
PubChem CID106487604
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate
SMILESCCOC(=O)C(CC)(CN)CC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-3-14(11-15,13(16)17-4-2)10-12-8-6-5-7-9-12/h12H,3-11,15H2,1-2H3
InChIKeyYSIIOMZAJVCRSJ-UHFFFAOYSA-N
XLogP2.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate
CID 106488918
2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
ethyl 2-(aminomethyl)-2-(cyclobutylmethyl)-4-methylpentanoate
CID 106488952
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate
CID 106489911
ethyl 2-(aminomethyl)-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butanoate
CID 106487613
ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate
CID 106487561
ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate
CID 106931584
3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one
CID 116603857
2-(cyclohexylmethyl)-2-ethoxycarbonylpentanoic acid
CID 103974066
ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
CID 106487001
ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate
CID 114290116
2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide
CID 115432159

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate?
The IUPAC name of ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate (CID 106487604) is ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate is CCOC(=O)C(CC)(CN)CC1CCCCC1.
What is the InChIKey of ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate?
The InChIKey is YSIIOMZAJVCRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-14(11-15,13(16)17-4-2)10-12-8-6-5-7-9-12/h12H,3-11,15H2,1-2H3.
What are the key properties of ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate?
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate has a molecular weight of 241.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate is sourced from PubChem (CID 106487604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).