2-methyl-6-(4-methylpentylamino)heptanoic acid

C14H29NO2 — CID 83157356

IUPAC2-methyl-6-(4-methylpentylamino)heptanoic acid
SMILESCC(C)CCCNC(C)CCCC(C)C(=O)O
InChIInChI=1S/C14H29NO2/c1-11(2)7-6-10-15-13(4)9-5-8-12(3)14(16)17/h11-13,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyTXNVKEKNKQJXQC-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.29
Rot. Bonds10

About 2-methyl-6-(4-methylpentylamino)heptanoic acid

2-methyl-6-(4-methylpentylamino)heptanoic acid (PubChem CID 83157356) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-methyl-6-(4-methylpentylamino)heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-(4-methylpentylamino)heptanoic acid
PubChem CID83157356
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-methyl-6-(4-methylpentylamino)heptanoic acid
SMILESCC(C)CCCNC(C)CCCC(C)C(=O)O
InChIInChI=1S/C14H29NO2/c1-11(2)7-6-10-15-13(4)9-5-8-12(3)14(16)17/h11-13,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyTXNVKEKNKQJXQC-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.29
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

2-methyl-6-(2-sulfamoylethylamino)heptanoic acid
CID 114385392
2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid
CID 65289087
2-methyl-5-(methylamino)pentanoic acid
CID 59942755
2,11-dimethyldodecanoic acid
CID 22251841
2,9-dimethyldecanoic acid
CID 22251838
(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine
CID 38989018
2-methyl-6-(propan-2-ylamino)heptanoic acid
CID 65288979
6-methyl-2-(methylamino)heptanoic acid
CID 91290146
2-(6-methylheptan-2-ylamino)ethanol
CID 61469768
2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid
CID 65289085
6-(3-chloroprop-2-enylamino)-2-methylheptanoic acid
CID 77064604
2-(methylamino)-5-(propan-2-ylamino)pentanoic acid
CID 168758875

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylpentylamino)heptanoic acid?
The IUPAC name of 2-methyl-6-(4-methylpentylamino)heptanoic acid (CID 83157356) is 2-methyl-6-(4-methylpentylamino)heptanoic acid.
What is the SMILES notation for 2-methyl-6-(4-methylpentylamino)heptanoic acid?
The canonical SMILES for 2-methyl-6-(4-methylpentylamino)heptanoic acid is CC(C)CCCNC(C)CCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-6-(4-methylpentylamino)heptanoic acid?
The InChIKey is TXNVKEKNKQJXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11(2)7-6-10-15-13(4)9-5-8-12(3)14(16)17/h11-13,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-6-(4-methylpentylamino)heptanoic acid?
2-methyl-6-(4-methylpentylamino)heptanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylpentylamino)heptanoic acid is sourced from PubChem (CID 83157356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).