2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate

C19H37NO2 — CID 143746501

IUPAC2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate
SMILESCNC(C)(CC(C)(C)C)C(=O)OC(C)(C)C1CCC(C)CC1
InChIInChI=1S/C19H37NO2/c1-14-9-11-15(12-10-14)18(5,6)22-16(21)19(7,20-8)13-17(2,3)4/h14-15,20H,9-13H2,1-8H3
InChIKeyHOYSPUWIKQJDAD-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.55
Rot. Bonds5

About 2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate

2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate (PubChem CID 143746501) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate
PubChem CID143746501
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate
SMILESCNC(C)(CC(C)(C)C)C(=O)OC(C)(C)C1CCC(C)CC1
InChIInChI=1S/C19H37NO2/c1-14-9-11-15(12-10-14)18(5,6)22-16(21)19(7,20-8)13-17(2,3)4/h14-15,20H,9-13H2,1-8H3
InChIKeyHOYSPUWIKQJDAD-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate?
The IUPAC name of 2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate (CID 143746501) is 2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate.
What is the SMILES notation for 2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate?
The canonical SMILES for 2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate is CNC(C)(CC(C)(C)C)C(=O)OC(C)(C)C1CCC(C)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate?
The InChIKey is HOYSPUWIKQJDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-14-9-11-15(12-10-14)18(5,6)22-16(21)19(7,20-8)13-17(2,3)4/h14-15,20H,9-13H2,1-8H3.
What are the key properties of 2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate?
2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate has a molecular weight of 311.51 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate is sourced from PubChem (CID 143746501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).