acetic acid;adamantan-1-amine

C12H21NO2 — CID 12682111

IUPACacetic acid;adamantan-1-amine
SMILESCC(=O)O.NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N.C2H4O2/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-2(3)4/h7-9H,1-6,11H2;1H3,(H,3,4)
InChIKeyMYEOBVSBGFXYLN-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.00
Rot. Bonds

About acetic acid;adamantan-1-amine

acetic acid;adamantan-1-amine (PubChem CID 12682111) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is acetic acid;adamantan-1-amine.

Molecular Properties

Compound Nameacetic acid;adamantan-1-amine
PubChem CID12682111
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameacetic acid;adamantan-1-amine
SMILESCC(=O)O.NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N.C2H4O2/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-2(3)4/h7-9H,1-6,11H2;1H3,(H,3,4)
InChIKeyMYEOBVSBGFXYLN-UHFFFAOYSA-N
XLogP2.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;adamantan-1-amine?
The IUPAC name of acetic acid;adamantan-1-amine (CID 12682111) is acetic acid;adamantan-1-amine.
What is the SMILES notation for acetic acid;adamantan-1-amine?
The canonical SMILES for acetic acid;adamantan-1-amine is CC(=O)O.NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of acetic acid;adamantan-1-amine?
The InChIKey is MYEOBVSBGFXYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C2H4O2/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-2(3)4/h7-9H,1-6,11H2;1H3,(H,3,4).
What are the key properties of acetic acid;adamantan-1-amine?
acetic acid;adamantan-1-amine has a molecular weight of 211.30 g/mol, XLogP of 2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;adamantan-1-amine is sourced from PubChem (CID 12682111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).