acetic acid;3,5-dimethyladamantan-1-amine

C16H29NO4 — CID 172831686

IUPACacetic acid;3,5-dimethyladamantan-1-amine
SMILESCC(=O)O.CC(=O)O.CC12CC3CC(C)(C1)CC(N)(C3)C2
InChIInChI=1S/C12H21N.2C2H4O2/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;2*1-2(3)4/h9H,3-8,13H2,1-2H3;2*1H3,(H,3,4)
InChIKeyVPDNYQIXUZLJER-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.88
Rot. Bonds

About acetic acid;3,5-dimethyladamantan-1-amine

acetic acid;3,5-dimethyladamantan-1-amine (PubChem CID 172831686) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is acetic acid;3,5-dimethyladamantan-1-amine.

Molecular Properties

Compound Nameacetic acid;3,5-dimethyladamantan-1-amine
PubChem CID172831686
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nameacetic acid;3,5-dimethyladamantan-1-amine
SMILESCC(=O)O.CC(=O)O.CC12CC3CC(C)(C1)CC(N)(C3)C2
InChIInChI=1S/C12H21N.2C2H4O2/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;2*1-2(3)4/h9H,3-8,13H2,1-2H3;2*1H3,(H,3,4)
InChIKeyVPDNYQIXUZLJER-UHFFFAOYSA-N
XLogP2.88
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3,5-dimethyladamantan-1-amine?
The IUPAC name of acetic acid;3,5-dimethyladamantan-1-amine (CID 172831686) is acetic acid;3,5-dimethyladamantan-1-amine.
What is the SMILES notation for acetic acid;3,5-dimethyladamantan-1-amine?
The canonical SMILES for acetic acid;3,5-dimethyladamantan-1-amine is CC(=O)O.CC(=O)O.CC12CC3CC(C)(C1)CC(N)(C3)C2.
What is the InChIKey of acetic acid;3,5-dimethyladamantan-1-amine?
The InChIKey is VPDNYQIXUZLJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.2C2H4O2/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;2*1-2(3)4/h9H,3-8,13H2,1-2H3;2*1H3,(H,3,4).
What are the key properties of acetic acid;3,5-dimethyladamantan-1-amine?
acetic acid;3,5-dimethyladamantan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 2.88, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3,5-dimethyladamantan-1-amine is sourced from PubChem (CID 172831686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).