2,3-dimethylbutan-2-amine;octanoic acid

C14H31NO2 — CID 173175161

IUPAC2,3-dimethylbutan-2-amine;octanoic acid
SMILESCC(C)C(C)(C)N.CCCCCCCC(=O)O
InChIInChI=1S/C8H16O2.C6H15N/c1-2-3-4-5-6-7-8(9)10;1-5(2)6(3,4)7/h2-7H2,1H3,(H,9,10);5H,7H2,1-4H3
InChIKeyOVFKSKNAPPKKNY-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.81
Rot. Bonds7

About 2,3-dimethylbutan-2-amine;octanoic acid

2,3-dimethylbutan-2-amine;octanoic acid (PubChem CID 173175161) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-amine;octanoic acid.

Molecular Properties

Compound Name2,3-dimethylbutan-2-amine;octanoic acid
PubChem CID173175161
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2,3-dimethylbutan-2-amine;octanoic acid
SMILESCC(C)C(C)(C)N.CCCCCCCC(=O)O
InChIInChI=1S/C8H16O2.C6H15N/c1-2-3-4-5-6-7-8(9)10;1-5(2)6(3,4)7/h2-7H2,1H3,(H,9,10);5H,7H2,1-4H3
InChIKeyOVFKSKNAPPKKNY-UHFFFAOYSA-N
XLogP3.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.81
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

2,3-dimethylnonan-2-amine;hexanoic acid
CID 173175130
2,3-dimethylhexan-2-amine;hexanoic acid
CID 173175162
CID 87268776
CID 87268776
2-methylpropane-1,2-diamine;tetradecanoic acid
CID 172833442
2,3-dimethylundecan-2-amine;pentanoic acid
CID 173175135
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
(1,3,5,7,9-13C5)hexadecanoic acid
CID 71309479
docosanoic acid;bis(tetracosanoic acid)
CID 161141504
hexatriacontanoic acid
CID 87094359
tetradecanoic acid
CID 88995416

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-amine;octanoic acid?
The IUPAC name of 2,3-dimethylbutan-2-amine;octanoic acid (CID 173175161) is 2,3-dimethylbutan-2-amine;octanoic acid.
What is the SMILES notation for 2,3-dimethylbutan-2-amine;octanoic acid?
The canonical SMILES for 2,3-dimethylbutan-2-amine;octanoic acid is CC(C)C(C)(C)N.CCCCCCCC(=O)O.
What is the InChIKey of 2,3-dimethylbutan-2-amine;octanoic acid?
The InChIKey is OVFKSKNAPPKKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H15N/c1-2-3-4-5-6-7-8(9)10;1-5(2)6(3,4)7/h2-7H2,1H3,(H,9,10);5H,7H2,1-4H3.
What are the key properties of 2,3-dimethylbutan-2-amine;octanoic acid?
2,3-dimethylbutan-2-amine;octanoic acid has a molecular weight of 245.41 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-amine;octanoic acid is sourced from PubChem (CID 173175161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).