methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate

C12H26N2O2 — CID 62950242

IUPACmethyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate
SMILESCOC(=O)C(CC(C)(C)C)NCCN(C)C
InChIInChI=1S/C12H26N2O2/c1-12(2,3)9-10(11(15)16-6)13-7-8-14(4)5/h10,13H,7-9H2,1-6H3
InChIKeyUUUHSQYDHVWHFQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.12
Rot. Bonds6

About methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate

methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate (PubChem CID 62950242) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate
PubChem CID62950242
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Namemethyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate
SMILESCOC(=O)C(CC(C)(C)C)NCCN(C)C
InChIInChI=1S/C12H26N2O2/c1-12(2,3)9-10(11(15)16-6)13-7-8-14(4)5/h10,13H,7-9H2,1-6H3
InChIKeyUUUHSQYDHVWHFQ-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate
CID 66191015
methyl 4,4-dimethyl-2-(methylamino)pentanoate
CID 62949491
methyl (2S)-2,4,4-trimethylpentanoate
CID 87851935
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
(2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride
CID 87369953
methyl (2S)-3-[2-(dimethylamino)ethylamino]-2-methylpropanoate
CID 93035177
methyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate
CID 116502052
methyl 2-(3,3-dimethylbutylamino)-4-oxopentanoate
CID 58171891
methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate
CID 115524534
2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine
CID 106675732
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate
CID 55143734
methyl (2R)-2-hydroxy-4,4-dimethylpentanoate
CID 59424547

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate?
The IUPAC name of methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate (CID 62950242) is methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate?
The canonical SMILES for methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate is COC(=O)C(CC(C)(C)C)NCCN(C)C.
What is the InChIKey of methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate?
The InChIKey is UUUHSQYDHVWHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(2,3)9-10(11(15)16-6)13-7-8-14(4)5/h10,13H,7-9H2,1-6H3.
What are the key properties of methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate?
methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate has a molecular weight of 230.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate is sourced from PubChem (CID 62950242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).