acetic acid;2,3-dimethylundecan-2-amine

C15H33NO2 — CID 173175122

IUPACacetic acid;2,3-dimethylundecan-2-amine
SMILESCC(=O)O.CCCCCCCCC(C)C(C)(C)N
InChIInChI=1S/C13H29N.C2H4O2/c1-5-6-7-8-9-10-11-12(2)13(3,4)14;1-2(3)4/h12H,5-11,14H2,1-4H3;1H3,(H,3,4)
InChIKeyZLWFFCOQDPDUOU-UHFFFAOYSA-N
MW259.43 g/mol
LogP4.20
Rot. Bonds8

About acetic acid;2,3-dimethylundecan-2-amine

acetic acid;2,3-dimethylundecan-2-amine (PubChem CID 173175122) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is acetic acid;2,3-dimethylundecan-2-amine.

Molecular Properties

Compound Nameacetic acid;2,3-dimethylundecan-2-amine
PubChem CID173175122
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Nameacetic acid;2,3-dimethylundecan-2-amine
SMILESCC(=O)O.CCCCCCCCC(C)C(C)(C)N
InChIInChI=1S/C13H29N.C2H4O2/c1-5-6-7-8-9-10-11-12(2)13(3,4)14;1-2(3)4/h12H,5-11,14H2,1-4H3;1H3,(H,3,4)
InChIKeyZLWFFCOQDPDUOU-UHFFFAOYSA-N
XLogP4.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 54.20
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-dimethyldecan-2-amine;propanoic acid
CID 173175223
2,3-dimethylhexadecan-2-amine
CID 87479269
2,3-dimethylundecan-2-amine;pentanoic acid
CID 173175135
2,3-dimethylnonan-2-amine;hexanoic acid
CID 173175130
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
2,3-dimethylundecan-2-amine;sulfuric acid
CID 170436301
2,3-dimethylhexan-2-amine;hexanoic acid
CID 173175162
2-amino-3-methylheptadecan-2-ol
CID 88695872
3-methylheptadecane-2,2-diamine
CID 141040528
acetic acid;heptatriacontan-19-amine
CID 173373447
acetic acid;tridecan-2-ol
CID 71339808
acetic acid;2-butylhexadecanamide
CID 174441858

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,3-dimethylundecan-2-amine?
The IUPAC name of acetic acid;2,3-dimethylundecan-2-amine (CID 173175122) is acetic acid;2,3-dimethylundecan-2-amine.
What is the SMILES notation for acetic acid;2,3-dimethylundecan-2-amine?
The canonical SMILES for acetic acid;2,3-dimethylundecan-2-amine is CC(=O)O.CCCCCCCCC(C)C(C)(C)N.
What is the InChIKey of acetic acid;2,3-dimethylundecan-2-amine?
The InChIKey is ZLWFFCOQDPDUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.C2H4O2/c1-5-6-7-8-9-10-11-12(2)13(3,4)14;1-2(3)4/h12H,5-11,14H2,1-4H3;1H3,(H,3,4).
What are the key properties of acetic acid;2,3-dimethylundecan-2-amine?
acetic acid;2,3-dimethylundecan-2-amine has a molecular weight of 259.43 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,3-dimethylundecan-2-amine is sourced from PubChem (CID 173175122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).