8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid

C19H37NO2 — CID 19911770

IUPAC8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid
SMILESCCCCNCC(C)CCC(CCC(=O)O)C1CCCCC1
InChIInChI=1S/C19H37NO2/c1-3-4-14-20-15-16(2)10-11-18(12-13-19(21)22)17-8-6-5-7-9-17/h16-18,20H,3-15H2,1-2H3,(H,21,22)
InChIKeyRSTNUXHTAATHED-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.85
Rot. Bonds12

About 8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid

8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid (PubChem CID 19911770) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid.

Molecular Properties

Compound Name8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid
PubChem CID19911770
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid
SMILESCCCCNCC(C)CCC(CCC(=O)O)C1CCCCC1
InChIInChI=1S/C19H37NO2/c1-3-4-14-20-15-16(2)10-11-18(12-13-19(21)22)17-8-6-5-7-9-17/h16-18,20H,3-15H2,1-2H3,(H,21,22)
InChIKeyRSTNUXHTAATHED-UHFFFAOYSA-N
XLogP4.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropylheptadecanoic acid
CID 68637833
5-(cyclohexylamino)-4-methylpentanoic acid
CID 82933568
N-butyl-2-cyclopentylpropanamide
CID 173178636
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid
CID 69297250
5-cyclohexyl-4-(pentanoylamino)pentanoic acid
CID 122056434
5-cyclopentylhexanoic acid
CID 69016722
5-cyclohexyl-4-methylhexanoic acid
CID 174468115
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
2-cyclopentyl-N-propylundecan-1-amine
CID 115926613
2-cyclopentyl-N-propyldecan-1-amine
CID 112569910
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389

Frequently Asked Questions

What is the IUPAC name of 8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid?
The IUPAC name of 8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid (CID 19911770) is 8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid.
What is the SMILES notation for 8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid?
The canonical SMILES for 8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid is CCCCNCC(C)CCC(CCC(=O)O)C1CCCCC1.
What is the InChIKey of 8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid?
The InChIKey is RSTNUXHTAATHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-3-4-14-20-15-16(2)10-11-18(12-13-19(21)22)17-8-6-5-7-9-17/h16-18,20H,3-15H2,1-2H3,(H,21,22).
What are the key properties of 8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid?
8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid has a molecular weight of 311.51 g/mol, XLogP of 4.85, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(butylamino)-4-cyclohexyl-7-methyloctanoic acid is sourced from PubChem (CID 19911770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).