adamantan-1-amine;propanoic acid

C13H23NO2 — CID 162142210

IUPACadamantan-1-amine;propanoic acid
SMILESCCC(=O)O.NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N.C3H6O2/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-2-3(4)5/h7-9H,1-6,11H2;2H2,1H3,(H,4,5)
InChIKeyZKBNSGYVZWUOSW-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.39
Rot. Bonds1

About adamantan-1-amine;propanoic acid

adamantan-1-amine;propanoic acid (PubChem CID 162142210) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is adamantan-1-amine;propanoic acid.

Molecular Properties

Compound Nameadamantan-1-amine;propanoic acid
PubChem CID162142210
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameadamantan-1-amine;propanoic acid
SMILESCCC(=O)O.NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N.C3H6O2/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-2-3(4)5/h7-9H,1-6,11H2;2H2,1H3,(H,4,5)
InChIKeyZKBNSGYVZWUOSW-UHFFFAOYSA-N
XLogP2.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of adamantan-1-amine;propanoic acid?
The IUPAC name of adamantan-1-amine;propanoic acid (CID 162142210) is adamantan-1-amine;propanoic acid.
What is the SMILES notation for adamantan-1-amine;propanoic acid?
The canonical SMILES for adamantan-1-amine;propanoic acid is CCC(=O)O.NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of adamantan-1-amine;propanoic acid?
The InChIKey is ZKBNSGYVZWUOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C3H6O2/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-2-3(4)5/h7-9H,1-6,11H2;2H2,1H3,(H,4,5).
What are the key properties of adamantan-1-amine;propanoic acid?
adamantan-1-amine;propanoic acid has a molecular weight of 225.33 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-1-amine;propanoic acid is sourced from PubChem (CID 162142210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).