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

C13H23N — CID 547499

IUPAC1-(1-adamantyl)propan-1-amine
SMILESCCC(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23N/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12H,2-8,14H2,1H3
InChIKeyRKPSOUZGYPZAHW-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.94
Rot. Bonds2

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

1-(1-adamantyl)propan-1-amine (PubChem CID 547499) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(1-adamantyl)propan-1-amine.

Molecular Properties

Compound Name1-(1-adamantyl)propan-1-amine
PubChem CID547499
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(1-adamantyl)propan-1-amine
SMILESCCC(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23N/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12H,2-8,14H2,1H3
InChIKeyRKPSOUZGYPZAHW-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 1-(1-adamantyl)propan-1-amine?
The IUPAC name of 1-(1-adamantyl)propan-1-amine (CID 547499) is 1-(1-adamantyl)propan-1-amine.
What is the SMILES notation for 1-(1-adamantyl)propan-1-amine?
The canonical SMILES for 1-(1-adamantyl)propan-1-amine is CCC(N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)propan-1-amine?
The InChIKey is RKPSOUZGYPZAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12H,2-8,14H2,1H3.
What are the key properties of 1-(1-adamantyl)propan-1-amine?
1-(1-adamantyl)propan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)propan-1-amine is sourced from PubChem (CID 547499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).