2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate

C18H31N3O2 — CID 178172677

IUPAC2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate
SMILESCCCC(COC(=O)C(N)C(C)C)N(C)CCc1ccccn1
InChIInChI=1S/C18H31N3O2/c1-5-8-16(13-23-18(22)17(19)14(2)3)21(4)12-10-15-9-6-7-11-20-15/h6-7,9,11,14,16-17H,5,8,10,12-13,19H2,1-4H3
InChIKeyBTXDMZNMTPPIQC-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.25
Rot. Bonds10

About 2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate

2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate (PubChem CID 178172677) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate
PubChem CID178172677
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC Name2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate
SMILESCCCC(COC(=O)C(N)C(C)C)N(C)CCc1ccccn1
InChIInChI=1S/C18H31N3O2/c1-5-8-16(13-23-18(22)17(19)14(2)3)21(4)12-10-15-9-6-7-11-20-15/h6-7,9,11,14,16-17H,5,8,10,12-13,19H2,1-4H3
InChIKeyBTXDMZNMTPPIQC-UHFFFAOYSA-N
XLogP2.25
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 83042410
2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
CID 43228048
3-[methyl(2-pyridin-2-ylethyl)amino]butanethioamide
CID 60915227
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
CID 115137806
4-amino-N,N-diethyl-3-[methyl(2-pyridin-2-ylethyl)amino]butanamide
CID 66430451
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
2-amino-4-pyridin-2-ylbutanamide
CID 64990711
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 43187234

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate?
The IUPAC name of 2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate (CID 178172677) is 2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate.
What is the SMILES notation for 2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate?
The canonical SMILES for 2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate is CCCC(COC(=O)C(N)C(C)C)N(C)CCc1ccccn1.
What is the InChIKey of 2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate?
The InChIKey is BTXDMZNMTPPIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-5-8-16(13-23-18(22)17(19)14(2)3)21(4)12-10-15-9-6-7-11-20-15/h6-7,9,11,14,16-17H,5,8,10,12-13,19H2,1-4H3.
What are the key properties of 2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate?
2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate has a molecular weight of 321.46 g/mol, XLogP of 2.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate is sourced from PubChem (CID 178172677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).