methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate

C18H35NO2 — CID 43732303

IUPACmethyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
SMILESCCC(C)C(NC1CCC(C(C)(C)CC)CC1)C(=O)OC
InChIInChI=1S/C18H35NO2/c1-7-13(3)16(17(20)21-6)19-15-11-9-14(10-12-15)18(4,5)8-2/h13-16,19H,7-12H2,1-6H3
InChIKeyJKNKLQGXDTVSNS-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.16
Rot. Bonds7

About methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate

methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate (PubChem CID 43732303) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
PubChem CID43732303
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Namemethyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
SMILESCCC(C)C(NC1CCC(C(C)(C)CC)CC1)C(=O)OC
InChIInChI=1S/C18H35NO2/c1-7-13(3)16(17(20)21-6)19-15-11-9-14(10-12-15)18(4,5)8-2/h13-16,19H,7-12H2,1-6H3
InChIKeyJKNKLQGXDTVSNS-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate with MolForge

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Related Compounds

N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide
CID 115574010
methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
CID 43788499
2-(cyclopropylamino)-3-methylpentanoic acid
CID 61319137
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113481634
methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate
CID 64753370
methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate
CID 66289634
4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine
CID 43778905
(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 119272259
methyl 2-[(1,1-dioxothiolan-3-yl)amino]-3-methylpentanoate
CID 43839832
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol
CID 43079522
3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 62727193
methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate
CID 64593904

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate?
The IUPAC name of methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate (CID 43732303) is methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate.
What is the SMILES notation for methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate?
The canonical SMILES for methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate is CCC(C)C(NC1CCC(C(C)(C)CC)CC1)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate?
The InChIKey is JKNKLQGXDTVSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-7-13(3)16(17(20)21-6)19-15-11-9-14(10-12-15)18(4,5)8-2/h13-16,19H,7-12H2,1-6H3.
What are the key properties of methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate?
methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate has a molecular weight of 297.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate is sourced from PubChem (CID 43732303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).