2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid

C15H29NO2 — CID 23175553

IUPAC2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid
SMILESCCCCCC/N=C(\C)C(CCCCC)C(=O)O
InChIInChI=1S/C15H29NO2/c1-4-6-8-10-12-16-13(3)14(15(17)18)11-9-7-5-2/h14H,4-12H2,1-3H3,(H,17,18)/b16-13+
InChIKeyDOAXCCWZHQAOIU-DTQAZKPQSA-N
MW255.40 g/mol
LogP4.31
Rot. Bonds11

About 2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid

2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid (PubChem CID 23175553) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid.

Molecular Properties

Compound Name2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid
PubChem CID23175553
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid
SMILESCCCCCC/N=C(\C)C(CCCCC)C(=O)O
InChIInChI=1S/C15H29NO2/c1-4-6-8-10-12-16-13(3)14(15(17)18)11-9-7-5-2/h14H,4-12H2,1-3H3,(H,17,18)/b16-13+
InChIKeyDOAXCCWZHQAOIU-DTQAZKPQSA-N
XLogP4.31
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-Isobutyliminocyclohexanecarboxylic acid
CID 129811907
methyl 3-[(2S)-2,4-dimethyl-3,4-dihydro-2H-pyrrol-5-yl]propanoate
CID 134858924
5-Butyl-3,4,5,6-tetrahydropyridine-2-carboxylic acid
CID 225939
2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-(1-methylethyl)-, (S)-
CID 11073652
5-(Propan-2-yl)-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 15234038
2-(C-methyl-N-pentylcarbonimidoyl)pentanoic acid
CID 23175551
2-(C-methyl-N-pentylcarbonimidoyl)heptanoic acid
CID 23175567
2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid
CID 23175575
2-(N-butyl-C-methylcarbonimidoyl)hexanoic acid
CID 23175577
2-(N-butyl-C-methylcarbonimidoyl)heptanoic acid
CID 23175581
2-(N-cyclohexyl-C-methylcarbonimidoyl)heptanoic acid
CID 23175587
2-(N-hexyl-C-methylcarbonimidoyl)pentanoic acid
CID 23175591

Frequently Asked Questions

What is the IUPAC name of 2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid?
The IUPAC name of 2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid (CID 23175553) is 2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid.
What is the SMILES notation for 2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid?
The canonical SMILES for 2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid is CCCCCC/N=C(\C)C(CCCCC)C(=O)O.
What is the InChIKey of 2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid?
The InChIKey is DOAXCCWZHQAOIU-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-6-8-10-12-16-13(3)14(15(17)18)11-9-7-5-2/h14H,4-12H2,1-3H3,(H,17,18)/b16-13+.
What are the key properties of 2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid?
2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid has a molecular weight of 255.40 g/mol, XLogP of 4.31, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid is sourced from PubChem (CID 23175553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).