methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate

C16H32N2O2 — CID 64728349

IUPACmethyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
SMILESCCN(C(C)CC(C)(NC)C(=O)OC)C1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-6-18(14-10-8-7-9-11-14)13(2)12-16(3,17-4)15(19)20-5/h13-14,17H,6-12H2,1-5H3
InChIKeyLKDJRGVMWKWLPI-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.57
Rot. Bonds7

About methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate

methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate (PubChem CID 64728349) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
PubChem CID64728349
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namemethyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
SMILESCCN(C(C)CC(C)(NC)C(=O)OC)C1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-6-18(14-10-8-7-9-11-14)13(2)12-16(3,17-4)15(19)20-5/h13-14,17H,6-12H2,1-5H3
InChIKeyLKDJRGVMWKWLPI-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728233
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 64725859
2-amino-4-[cyclohexyl(ethyl)amino]-2-methylpentanamide
CID 64725354
4-[cyclohexyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798610
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanoate
CID 64709856
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 78998497
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate
CID 64709105
methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709610
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64709693
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate
CID 64703591
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 65324725

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate (CID 64728349) is methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate is CCN(C(C)CC(C)(NC)C(=O)OC)C1CCCCC1.
What is the InChIKey of methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate?
The InChIKey is LKDJRGVMWKWLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-18(14-10-8-7-9-11-14)13(2)12-16(3,17-4)15(19)20-5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate?
methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate has a molecular weight of 284.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 64728349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).