methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate

C15H29NO2 — CID 64753370

IUPACmethyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC1CC(C)CC(C)C1)C(=O)OC
InChIInChI=1S/C15H29NO2/c1-6-12(4)14(15(17)18-5)16-13-8-10(2)7-11(3)9-13/h10-14,16H,6-9H2,1-5H3
InChIKeySVPDIZNZEPZKOS-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.99
Rot. Bonds5

About methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate

methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate (PubChem CID 64753370) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate
PubChem CID64753370
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC1CC(C)CC(C)C1)C(=O)OC
InChIInChI=1S/C15H29NO2/c1-6-12(4)14(15(17)18-5)16-13-8-10(2)7-11(3)9-13/h10-14,16H,6-9H2,1-5H3
InChIKeySVPDIZNZEPZKOS-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate
CID 103561043
methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate
CID 43732449
methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate
CID 64593904
methyl 2-[(1,1-dioxothiolan-3-yl)amino]-3-methylpentanoate
CID 43839832
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate
CID 43732446
methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
CID 43732303
methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate
CID 124824414
(2S)-2-[(3,5-dimethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 64731560
methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate
CID 82727620
methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
CID 43788499
methyl 3-methyl-2-[(2-methylthian-3-yl)amino]pentanoate
CID 79956844
methyl 2-(cyclopropylmethylamino)-3-methylpentanoate
CID 43732464

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate (CID 64753370) is methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate is CCC(C)C(NC1CC(C)CC(C)C1)C(=O)OC.
What is the InChIKey of methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate?
The InChIKey is SVPDIZNZEPZKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-12(4)14(15(17)18-5)16-13-8-10(2)7-11(3)9-13/h10-14,16H,6-9H2,1-5H3.
What are the key properties of methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate?
methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate has a molecular weight of 255.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate is sourced from PubChem (CID 64753370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).