2-(1-adamantyl)prop-2-en-1-amine

C13H21N — CID 23009845

IUPAC2-(1-adamantyl)prop-2-en-1-amine
SMILESC=C(CN)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21N/c1-9(8-14)13-5-10-2-11(6-13)4-12(3-10)7-13/h10-12H,1-8,14H2
InChIKeyTUOYBGRYLASNDK-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.72
Rot. Bonds2

About 2-(1-adamantyl)prop-2-en-1-amine

2-(1-adamantyl)prop-2-en-1-amine (PubChem CID 23009845) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-(1-adamantyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(1-adamantyl)prop-2-en-1-amine
PubChem CID23009845
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-(1-adamantyl)prop-2-en-1-amine
SMILESC=C(CN)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21N/c1-9(8-14)13-5-10-2-11(6-13)4-12(3-10)7-13/h10-12H,1-8,14H2
InChIKeyTUOYBGRYLASNDK-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)prop-2-en-1-amine?
The IUPAC name of 2-(1-adamantyl)prop-2-en-1-amine (CID 23009845) is 2-(1-adamantyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(1-adamantyl)prop-2-en-1-amine?
The canonical SMILES for 2-(1-adamantyl)prop-2-en-1-amine is C=C(CN)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)prop-2-en-1-amine?
The InChIKey is TUOYBGRYLASNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9(8-14)13-5-10-2-11(6-13)4-12(3-10)7-13/h10-12H,1-8,14H2.
What are the key properties of 2-(1-adamantyl)prop-2-en-1-amine?
2-(1-adamantyl)prop-2-en-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)prop-2-en-1-amine is sourced from PubChem (CID 23009845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).