methyl 2-(cyclohexylamino)-3-ethylpentanoate

C14H27NO2 — CID 61318514

IUPACmethyl 2-(cyclohexylamino)-3-ethylpentanoate
SMILESCCC(CC)C(NC1CCCCC1)C(=O)OC
InChIInChI=1S/C14H27NO2/c1-4-11(5-2)13(14(16)17-3)15-12-9-7-6-8-10-12/h11-13,15H,4-10H2,1-3H3
InChIKeyPSACMJVQQFRUGB-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds6

About methyl 2-(cyclohexylamino)-3-ethylpentanoate

methyl 2-(cyclohexylamino)-3-ethylpentanoate (PubChem CID 61318514) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 2-(cyclohexylamino)-3-ethylpentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclohexylamino)-3-ethylpentanoate
PubChem CID61318514
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 2-(cyclohexylamino)-3-ethylpentanoate
SMILESCCC(CC)C(NC1CCCCC1)C(=O)OC
InChIInChI=1S/C14H27NO2/c1-4-11(5-2)13(14(16)17-3)15-12-9-7-6-8-10-12/h11-13,15H,4-10H2,1-3H3
InChIKeyPSACMJVQQFRUGB-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclooctylamino)propanoate
CID 61498293
ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate
CID 116502070
methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate
CID 64593904
N-(3-ethylpentan-2-yl)cyclohexanamine
CID 63842425
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
CID 43732303
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
dimethyl 2-cyclohexylpropanedioate
CID 2793740
ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate
CID 46200258
ethyl 4-(cyclohexylamino)pent-2-enoate
CID 75145895
ethyl (E)-4-(cyclohexylamino)pent-2-enoate
CID 131740586
2-(cyclopentylamino)butanoic acid
CID 60998249

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexylamino)-3-ethylpentanoate?
The IUPAC name of methyl 2-(cyclohexylamino)-3-ethylpentanoate (CID 61318514) is methyl 2-(cyclohexylamino)-3-ethylpentanoate.
What is the SMILES notation for methyl 2-(cyclohexylamino)-3-ethylpentanoate?
The canonical SMILES for methyl 2-(cyclohexylamino)-3-ethylpentanoate is CCC(CC)C(NC1CCCCC1)C(=O)OC.
What is the InChIKey of methyl 2-(cyclohexylamino)-3-ethylpentanoate?
The InChIKey is PSACMJVQQFRUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-11(5-2)13(14(16)17-3)15-12-9-7-6-8-10-12/h11-13,15H,4-10H2,1-3H3.
What are the key properties of methyl 2-(cyclohexylamino)-3-ethylpentanoate?
methyl 2-(cyclohexylamino)-3-ethylpentanoate has a molecular weight of 241.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexylamino)-3-ethylpentanoate is sourced from PubChem (CID 61318514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).