2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid

C14H30N2O2 — CID 103233778

IUPAC2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid
SMILESCCN(CC)CCCC(C)NC(C(=O)O)C(C)C
InChIInChI=1S/C14H30N2O2/c1-6-16(7-2)10-8-9-12(5)15-13(11(3)4)14(17)18/h11-13,15H,6-10H2,1-5H3,(H,17,18)
InChIKeyGQXIPMPZFQXHMX-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.20
Rot. Bonds10

About 2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid

2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid (PubChem CID 103233778) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid
PubChem CID103233778
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid
SMILESCCN(CC)CCCC(C)NC(C(=O)O)C(C)C
InChIInChI=1S/C14H30N2O2/c1-6-16(7-2)10-8-9-12(5)15-13(11(3)4)14(17)18/h11-13,15H,6-10H2,1-5H3,(H,17,18)
InChIKeyGQXIPMPZFQXHMX-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid
CID 103246578
4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496126
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
2-(butan-2-ylamino)-3-methylbutanoic acid
CID 12837669
4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 102867785
2-[5-(diethylamino)pentan-2-ylamino]-N-propylpropanamide
CID 43087341
2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid
CID 61454676
3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 62670098
(2R)-2-[5-(diethylamino)pentan-2-ylcarbamoylamino]pentanoic acid
CID 107565974
N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
CID 107020634
(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid?
The IUPAC name of 2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid (CID 103233778) is 2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid?
The canonical SMILES for 2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid is CCN(CC)CCCC(C)NC(C(=O)O)C(C)C.
What is the InChIKey of 2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid?
The InChIKey is GQXIPMPZFQXHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-6-16(7-2)10-8-9-12(5)15-13(11(3)4)14(17)18/h11-13,15H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid?
2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid has a molecular weight of 258.41 g/mol, XLogP of 2.20, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid is sourced from PubChem (CID 103233778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).