methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate

C16H33N3O2 — CID 64703591

IUPACmethyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate
SMILESCNC(C)(CC(C)N(C)CC1CCN(C)CC1)C(=O)OC
InChIInChI=1S/C16H33N3O2/c1-13(11-16(2,17-3)15(20)21-6)19(5)12-14-7-9-18(4)10-8-14/h13-14,17H,7-12H2,1-6H3
InChIKeyPVVMSZMOFHSGLN-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.19
Rot. Bonds7

About methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate

methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate (PubChem CID 64703591) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate
PubChem CID64703591
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Namemethyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate
SMILESCNC(C)(CC(C)N(C)CC1CCN(C)CC1)C(=O)OC
InChIInChI=1S/C16H33N3O2/c1-13(11-16(2,17-3)15(20)21-6)19(5)12-14-7-9-18(4)10-8-14/h13-14,17H,7-12H2,1-6H3
InChIKeyPVVMSZMOFHSGLN-UHFFFAOYSA-N
XLogP1.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate with MolForge

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Related Compounds

methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentanoate
CID 64705195
methyl 2-(cyclopropylamino)-4-[cyclopropylmethyl(methyl)amino]-2-methylpentanoate
CID 64709824
2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentan-1-ol
CID 64790464
methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate
CID 64709105
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanoate
CID 64709856
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274774
methyl 2-methyl-2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64711376
2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid
CID 64725416
methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728233
methyl 2-amino-2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 55171631
2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 64727327
1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine
CID 63234641

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate (CID 64703591) is methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate is CNC(C)(CC(C)N(C)CC1CCN(C)CC1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate?
The InChIKey is PVVMSZMOFHSGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-13(11-16(2,17-3)15(20)21-6)19(5)12-14-7-9-18(4)10-8-14/h13-14,17H,7-12H2,1-6H3.
What are the key properties of methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate?
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate has a molecular weight of 299.46 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate is sourced from PubChem (CID 64703591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).