ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate

C16H31NO2 — CID 106488918

IUPACethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate
SMILESCCOC(=O)C(CN)(CC(C)C)CC1CCCCC1
InChIInChI=1S/C16H31NO2/c1-4-19-15(18)16(12-17,10-13(2)3)11-14-8-6-5-7-9-14/h13-14H,4-12,17H2,1-3H3
InChIKeyIVBVJVQYUFKKDE-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.51
Rot. Bonds7

About ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate

ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate (PubChem CID 106488918) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate
PubChem CID106488918
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Nameethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate
SMILESCCOC(=O)C(CN)(CC(C)C)CC1CCCCC1
InChIInChI=1S/C16H31NO2/c1-4-19-15(18)16(12-17,10-13(2)3)11-14-8-6-5-7-9-14/h13-14H,4-12,17H2,1-3H3
InChIKeyIVBVJVQYUFKKDE-UHFFFAOYSA-N
XLogP3.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(aminomethyl)-2-(cyclobutylmethyl)-4-methylpentanoate
CID 106488952
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate
CID 106487604
ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate
CID 106488875
ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate
CID 106488843
2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 70189214
ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868165
ethyl 2-(aminomethyl)-2-(3-methoxypropyl)-4-methylpentanoate
CID 106488906
diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate
CID 174616353
2-(cyclohexylmethyl)-2-ethoxycarbonylpentanoic acid
CID 103974066
ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate
CID 106488870
ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
CID 106487001

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate?
The IUPAC name of ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate (CID 106488918) is ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate is CCOC(=O)C(CN)(CC(C)C)CC1CCCCC1.
What is the InChIKey of ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate?
The InChIKey is IVBVJVQYUFKKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-19-15(18)16(12-17,10-13(2)3)11-14-8-6-5-7-9-14/h13-14H,4-12,17H2,1-3H3.
What are the key properties of ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate?
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate has a molecular weight of 269.43 g/mol, XLogP of 3.51, 7 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)-4-methylpentanoate is sourced from PubChem (CID 106488918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).