methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate

C16H33N3O2 — CID 105416856

IUPACmethyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CCCN(C)CC1(N(C)C)CCC1)C(=O)OC
InChIInChI=1S/C16H33N3O2/c1-15(17-2,14(20)21-6)9-8-12-19(5)13-16(18(3)4)10-7-11-16/h17H,7-13H2,1-6H3
InChIKeyPRGPGKHUNKKHRY-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.33
Rot. Bonds9

About methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate

methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate (PubChem CID 105416856) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate
PubChem CID105416856
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Namemethyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CCCN(C)CC1(N(C)C)CCC1)C(=O)OC
InChIInChI=1S/C16H33N3O2/c1-15(17-2,14(20)21-6)9-8-12-19(5)13-16(18(3)4)10-7-11-16/h17H,7-13H2,1-6H3
InChIKeyPRGPGKHUNKKHRY-UHFFFAOYSA-N
XLogP1.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate with MolForge

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Related Compounds

5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid
CID 106806525
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
CID 105417884
2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide
CID 105416903
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile
CID 105416604
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710145
methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate
CID 102996569
methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 81062894
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274774
methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62381935
methyl 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanoate
CID 62861406
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711102

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate (CID 105416856) is methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate is CNC(C)(CCCN(C)CC1(N(C)C)CCC1)C(=O)OC.
What is the InChIKey of methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate?
The InChIKey is PRGPGKHUNKKHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-15(17-2,14(20)21-6)9-8-12-19(5)13-16(18(3)4)10-7-11-16/h17H,7-13H2,1-6H3.
What are the key properties of methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate?
methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate has a molecular weight of 299.46 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 105416856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).