methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate

C16H27N3O2 — CID 63027374

IUPACmethyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)CCc1ccccn1)C(=O)OC
InChIInChI=1S/C16H27N3O2/c1-4-10-18-15(16(20)21-3)9-13-19(2)12-8-14-7-5-6-11-17-14/h5-7,11,15,18H,4,8-10,12-13H2,1-3H3
InChIKeyVQLYNUMDNCANJK-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.49
Rot. Bonds10

About methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate

methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate (PubChem CID 63027374) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate
PubChem CID63027374
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Namemethyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)CCc1ccccn1)C(=O)OC
InChIInChI=1S/C16H27N3O2/c1-4-10-18-15(16(20)21-3)9-13-19(2)12-8-14-7-5-6-11-17-14/h5-7,11,15,18H,4,8-10,12-13H2,1-3H3
InChIKeyVQLYNUMDNCANJK-UHFFFAOYSA-N
XLogP1.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide
CID 63572869
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate
CID 115187986
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
methyl 4-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)butanoate
CID 79859194
3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine
CID 62622811
2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile
CID 63027499
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
methyl 4-(N-ethyl-2-methylanilino)-2-(propylamino)butanoate
CID 63030284
methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
CID 43565155

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate?
The IUPAC name of methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate (CID 63027374) is methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate is CCCNC(CCN(C)CCc1ccccn1)C(=O)OC.
What is the InChIKey of methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate?
The InChIKey is VQLYNUMDNCANJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-10-18-15(16(20)21-3)9-13-19(2)12-8-14-7-5-6-11-17-14/h5-7,11,15,18H,4,8-10,12-13H2,1-3H3.
What are the key properties of methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate?
methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate has a molecular weight of 293.41 g/mol, XLogP of 1.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate is sourced from PubChem (CID 63027374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).