2,3-dimethylnonan-2-amine;hexanoic acid

C17H37NO2 — CID 173175130

IUPAC2,3-dimethylnonan-2-amine;hexanoic acid
SMILESCCCCCC(=O)O.CCCCCCC(C)C(C)(C)N
InChIInChI=1S/C11H25N.C6H12O2/c1-5-6-7-8-9-10(2)11(3,4)12;1-2-3-4-5-6(7)8/h10H,5-9,12H2,1-4H3;2-5H2,1H3,(H,7,8)
InChIKeyXVRGZLXVPQHROY-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.98
Rot. Bonds10

About 2,3-dimethylnonan-2-amine;hexanoic acid

2,3-dimethylnonan-2-amine;hexanoic acid (PubChem CID 173175130) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 2,3-dimethylnonan-2-amine;hexanoic acid.

Molecular Properties

Compound Name2,3-dimethylnonan-2-amine;hexanoic acid
PubChem CID173175130
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name2,3-dimethylnonan-2-amine;hexanoic acid
SMILESCCCCCC(=O)O.CCCCCCC(C)C(C)(C)N
InChIInChI=1S/C11H25N.C6H12O2/c1-5-6-7-8-9-10(2)11(3,4)12;1-2-3-4-5-6(7)8/h10H,5-9,12H2,1-4H3;2-5H2,1H3,(H,7,8)
InChIKeyXVRGZLXVPQHROY-UHFFFAOYSA-N
XLogP4.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.98
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-dimethylundecan-2-amine;pentanoic acid
CID 173175135
2,3-dimethylhexan-2-amine;hexanoic acid
CID 173175162
2,3-dimethyldecan-2-amine;propanoic acid
CID 173175223
acetic acid;2,3-dimethylundecan-2-amine
CID 173175122
2,3-dimethylbutan-2-amine;octanoic acid
CID 173175161
2,3-dimethylhexadecan-2-amine
CID 87479269
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
11-methylnonadecanoic acid
CID 52921772
7-methyloctadecanoic acid;8-methyloctadecanoic acid
CID 157148422
8-methylhexadecanoic acid
CID 5312298
9-aminopentadecanoic acid
CID 87304604
docosanoic acid;2-methylpentadecane
CID 161174634

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylnonan-2-amine;hexanoic acid?
The IUPAC name of 2,3-dimethylnonan-2-amine;hexanoic acid (CID 173175130) is 2,3-dimethylnonan-2-amine;hexanoic acid.
What is the SMILES notation for 2,3-dimethylnonan-2-amine;hexanoic acid?
The canonical SMILES for 2,3-dimethylnonan-2-amine;hexanoic acid is CCCCCC(=O)O.CCCCCCC(C)C(C)(C)N.
What is the InChIKey of 2,3-dimethylnonan-2-amine;hexanoic acid?
The InChIKey is XVRGZLXVPQHROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.C6H12O2/c1-5-6-7-8-9-10(2)11(3,4)12;1-2-3-4-5-6(7)8/h10H,5-9,12H2,1-4H3;2-5H2,1H3,(H,7,8).
What are the key properties of 2,3-dimethylnonan-2-amine;hexanoic acid?
2,3-dimethylnonan-2-amine;hexanoic acid has a molecular weight of 287.49 g/mol, XLogP of 4.98, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylnonan-2-amine;hexanoic acid is sourced from PubChem (CID 173175130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).