2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid

C16H32N2O2 — CID 135389537

IUPAC2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid
SMILESCCC(CCN(C)CCC/N=C(\C)CC(C)C)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-6-15(16(19)20)8-11-18(5)10-7-9-17-14(4)12-13(2)3/h13,15H,6-12H2,1-5H3,(H,19,20)/b17-14+
InChIKeyGHPLNSPBXOIPMV-SAPNQHFASA-N
MW284.44 g/mol
LogP3.32
Rot. Bonds11

About 2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid

2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid (PubChem CID 135389537) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid
PubChem CID135389537
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid
SMILESCCC(CCN(C)CCC/N=C(\C)CC(C)C)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-6-15(16(19)20)8-11-18(5)10-7-9-17-14(4)12-13(2)3/h13,15H,6-12H2,1-5H3,(H,19,20)/b17-14+
InChIKeyGHPLNSPBXOIPMV-SAPNQHFASA-N
XLogP3.32
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]hexanoic acid
CID 135389578
4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
CID 71352712
5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid
CID 91314997
N-hexadecyl-4-methylpentan-2-imine
CID 102140626
4-(1-aminoethylideneamino)-2-ethylbutanoic acid
CID 145476520
2-decyl-16-[decyl(methyl)amino]hexadecanoic acid
CID 87389190
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
CID 87238691
CID 87238691
2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid
CID 142749103
2-ethylhexanoic acid;palladium(2+)
CID 18629949
copper 2-ethylhexanoic acid
CID 54604905

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid (CID 135389537) is 2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid is CCC(CCN(C)CCC/N=C(\C)CC(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid?
The InChIKey is GHPLNSPBXOIPMV-SAPNQHFASA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-15(16(19)20)8-11-18(5)10-7-9-17-14(4)12-13(2)3/h13,15H,6-12H2,1-5H3,(H,19,20)/b17-14+.
What are the key properties of 2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid?
2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid has a molecular weight of 284.44 g/mol, XLogP of 3.32, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid is sourced from PubChem (CID 135389537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).