methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate

C16H29NO2 — CID 64593904

IUPACmethyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC1CCCC(C2CC2)C1)C(=O)OC
InChIInChI=1S/C16H29NO2/c1-4-11(2)15(16(18)19-3)17-14-7-5-6-13(10-14)12-8-9-12/h11-15,17H,4-10H2,1-3H3
InChIKeyGTMGLDKRRRWPQI-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.13
Rot. Bonds6

About methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate

methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate (PubChem CID 64593904) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate
PubChem CID64593904
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Namemethyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC1CCCC(C2CC2)C1)C(=O)OC
InChIInChI=1S/C16H29NO2/c1-4-11(2)15(16(18)19-3)17-14-7-5-6-13(10-14)12-8-9-12/h11-15,17H,4-10H2,1-3H3
InChIKeyGTMGLDKRRRWPQI-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate
CID 64753370
2-[(3-cyclopropylcyclohexyl)amino]propanamide
CID 64595045
2-[(3-cyclopropylcyclohexyl)amino]propanoic acid
CID 64624206
3-cyclopropyl-N-(2-methylpentan-3-yl)cyclohexan-1-amine
CID 64623783
methyl 2-[(1,1-dioxothiolan-3-yl)amino]-3-methylpentanoate
CID 43839832
methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate
CID 43732449
methyl 2-(cyclohexylamino)-3-ethylpentanoate
CID 61318514
methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
CID 43732303
2-[(3-cyclopropylcyclohexyl)amino]propan-1-ol
CID 64593901
methyl (2S,3R)-2-[[(1R,2R)-2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoyl]cyclopentanecarbonyl]amino]-3-methylpentanoate
CID 174067701
methyl (2R,3R)-3-hydroxy-2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]butanoate
CID 99834927
N-(1-cyclohexylpropyl)-3-cyclopropylcyclohexan-1-amine
CID 64622957

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate (CID 64593904) is methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate is CCC(C)C(NC1CCCC(C2CC2)C1)C(=O)OC.
What is the InChIKey of methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate?
The InChIKey is GTMGLDKRRRWPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-11(2)15(16(18)19-3)17-14-7-5-6-13(10-14)12-8-9-12/h11-15,17H,4-10H2,1-3H3.
What are the key properties of methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate?
methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate has a molecular weight of 267.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate is sourced from PubChem (CID 64593904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).