2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid

C17H36N2O2 — CID 64710483

IUPAC2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid
SMILESCCCCCN(C(C)C)C(C)CC(C)(NCCC)C(=O)O
InChIInChI=1S/C17H36N2O2/c1-7-9-10-12-19(14(3)4)15(5)13-17(6,16(20)21)18-11-8-2/h14-15,18H,7-13H2,1-6H3,(H,20,21)
InChIKeySOISTLWOZBWCIE-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.51
Rot. Bonds12

About 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid

2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid (PubChem CID 64710483) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid
PubChem CID64710483
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid
SMILESCCCCCN(C(C)C)C(C)CC(C)(NCCC)C(=O)O
InChIInChI=1S/C17H36N2O2/c1-7-9-10-12-19(14(3)4)15(5)13-17(6,16(20)21)18-11-8-2/h14-15,18H,7-13H2,1-6H3,(H,20,21)
InChIKeySOISTLWOZBWCIE-UHFFFAOYSA-N
XLogP3.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64726647
4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile
CID 64727095
2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
CID 64725842
2-methyl-4-methylsulfanyl-2-(propylamino)pentanoic acid
CID 64712091
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 78998498
4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711737
5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63466519
2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoic acid
CID 107756173
2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827745
2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid
CID 64708806
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid?
The IUPAC name of 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid (CID 64710483) is 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid?
The canonical SMILES for 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid is CCCCCN(C(C)C)C(C)CC(C)(NCCC)C(=O)O.
What is the InChIKey of 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid?
The InChIKey is SOISTLWOZBWCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-7-9-10-12-19(14(3)4)15(5)13-17(6,16(20)21)18-11-8-2/h14-15,18H,7-13H2,1-6H3,(H,20,21).
What are the key properties of 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid?
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid has a molecular weight of 300.49 g/mol, XLogP of 3.51, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid is sourced from PubChem (CID 64710483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).