2-(1-adamantyl)propan-2-amine

C13H23N — CID 3010140

IUPAC2-(1-adamantyl)propan-2-amine
SMILESCC(C)(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23N/c1-12(2,14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8,14H2,1-2H3
InChIKeyNDDFDYJBIHXQIC-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.94
Rot. Bonds1

About 2-(1-adamantyl)propan-2-amine

2-(1-adamantyl)propan-2-amine (PubChem CID 3010140) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-amine.

Molecular Properties

Compound Name2-(1-adamantyl)propan-2-amine
PubChem CID3010140
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-(1-adamantyl)propan-2-amine
SMILESCC(C)(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23N/c1-12(2,14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8,14H2,1-2H3
InChIKeyNDDFDYJBIHXQIC-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)propan-2-amine?
The IUPAC name of 2-(1-adamantyl)propan-2-amine (CID 3010140) is 2-(1-adamantyl)propan-2-amine.
What is the SMILES notation for 2-(1-adamantyl)propan-2-amine?
The canonical SMILES for 2-(1-adamantyl)propan-2-amine is CC(C)(N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)propan-2-amine?
The InChIKey is NDDFDYJBIHXQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-12(2,14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 2-(1-adamantyl)propan-2-amine?
2-(1-adamantyl)propan-2-amine has a molecular weight of 193.33 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)propan-2-amine is sourced from PubChem (CID 3010140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).