6-(1-aminoethylideneamino)-2-methylhexanoic acid

C9H18N2O2 — CID 158122286

IUPAC6-(1-aminoethylideneamino)-2-methylhexanoic acid
SMILESC/C(N)=N\CCCCC(C)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-7(9(12)13)5-3-4-6-11-8(2)10/h7H,3-6H2,1-2H3,(H2,10,11)(H,12,13)
InChIKeyRGZVCUJRHUCJLR-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.25
Rot. Bonds6

About 6-(1-aminoethylideneamino)-2-methylhexanoic acid

6-(1-aminoethylideneamino)-2-methylhexanoic acid (PubChem CID 158122286) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-(1-aminoethylideneamino)-2-methylhexanoic acid.

Molecular Properties

Compound Name6-(1-aminoethylideneamino)-2-methylhexanoic acid
PubChem CID158122286
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name6-(1-aminoethylideneamino)-2-methylhexanoic acid
SMILESC/C(N)=N\CCCCC(C)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-7(9(12)13)5-3-4-6-11-8(2)10/h7H,3-6H2,1-2H3,(H2,10,11)(H,12,13)
InChIKeyRGZVCUJRHUCJLR-UHFFFAOYSA-N
XLogP1.25
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid
CID 90976628
(2S,3S)-3-amino-7-(1-aminoethylideneamino)-2-hydroxyheptanoic acid
CID 20638014
(3S)-3-amino-7-(1-aminoethylideneamino)heptanoic acid
CID 57253327
8-amino-2-methyl-8-oxooctanoic acid
CID 57306810
5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide
CID 155415637
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
2-[2-(1-aminoethylideneamino)ethyl]-3-methylbutanedioic acid
CID 118362424
2,9-dimethyldecanoic acid
CID 22251838
2,11-dimethyldodecanoic acid
CID 22251841
4-(1-aminoethylideneamino)-2-ethylbutanoic acid
CID 145476520
2-[16-(methylamino)-17-oxooctadecyl]guanidine
CID 149014155
methanol;2-methylheptanoic acid
CID 174821979

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethylideneamino)-2-methylhexanoic acid?
The IUPAC name of 6-(1-aminoethylideneamino)-2-methylhexanoic acid (CID 158122286) is 6-(1-aminoethylideneamino)-2-methylhexanoic acid.
What is the SMILES notation for 6-(1-aminoethylideneamino)-2-methylhexanoic acid?
The canonical SMILES for 6-(1-aminoethylideneamino)-2-methylhexanoic acid is C/C(N)=N\CCCCC(C)C(=O)O.
What is the InChIKey of 6-(1-aminoethylideneamino)-2-methylhexanoic acid?
The InChIKey is RGZVCUJRHUCJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(9(12)13)5-3-4-6-11-8(2)10/h7H,3-6H2,1-2H3,(H2,10,11)(H,12,13).
What are the key properties of 6-(1-aminoethylideneamino)-2-methylhexanoic acid?
6-(1-aminoethylideneamino)-2-methylhexanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethylideneamino)-2-methylhexanoic acid is sourced from PubChem (CID 158122286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).