methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate

C13H26N2O2 — CID 79724266

IUPACmethyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-9(2)8-12(13(16)17-3)15-11-6-4-10(14)5-7-11/h9-12,15H,4-8,14H2,1-3H3
InChIKeyYBGSGGIWRZXBBG-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.43
Rot. Bonds5

About methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate

methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate (PubChem CID 79724266) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate
PubChem CID79724266
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-9(2)8-12(13(16)17-3)15-11-6-4-10(14)5-7-11/h9-12,15H,4-8,14H2,1-3H3
InChIKeyYBGSGGIWRZXBBG-UHFFFAOYSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate
CID 43688945
methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate
CID 65086959
methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate
CID 61016873
2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide
CID 79723960
methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate
CID 43688946
methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate
CID 65044317
methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
CID 106675932
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809
methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
CID 82007078
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
methyl 2-[(2-cyanocyclopentyl)amino]-4-methylpentanoate
CID 55114184
methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate
CID 79462002

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate (CID 79724266) is methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC1CCC(N)CC1.
What is the InChIKey of methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate?
The InChIKey is YBGSGGIWRZXBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)8-12(13(16)17-3)15-11-6-4-10(14)5-7-11/h9-12,15H,4-8,14H2,1-3H3.
What are the key properties of methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate?
methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate has a molecular weight of 242.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate is sourced from PubChem (CID 79724266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).