3,5-bis(prop-2-enyl)adamantan-1-amine

C16H25N — CID 66809931

IUPAC3,5-bis(prop-2-enyl)adamantan-1-amine
SMILESC=CCC12CC3CC(N)(C1)CC(CC=C)(C3)C2
InChIInChI=1S/C16H25N/c1-3-5-14-7-13-8-15(10-14,6-4-2)12-16(17,9-13)11-14/h3-4,13H,1-2,5-12,17H2
InChIKeyYILQIYHOZPAKDJ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.81
Rot. Bonds4

About 3,5-bis(prop-2-enyl)adamantan-1-amine

3,5-bis(prop-2-enyl)adamantan-1-amine (PubChem CID 66809931) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3,5-bis(prop-2-enyl)adamantan-1-amine.

Molecular Properties

Compound Name3,5-bis(prop-2-enyl)adamantan-1-amine
PubChem CID66809931
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3,5-bis(prop-2-enyl)adamantan-1-amine
SMILESC=CCC12CC3CC(N)(C1)CC(CC=C)(C3)C2
InChIInChI=1S/C16H25N/c1-3-5-14-7-13-8-15(10-14,6-4-2)12-16(17,9-13)11-14/h3-4,13H,1-2,5-12,17H2
InChIKeyYILQIYHOZPAKDJ-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5-bis(prop-2-enyl)adamantan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(prop-2-enyl)adamantan-1-amine?
The IUPAC name of 3,5-bis(prop-2-enyl)adamantan-1-amine (CID 66809931) is 3,5-bis(prop-2-enyl)adamantan-1-amine.
What is the SMILES notation for 3,5-bis(prop-2-enyl)adamantan-1-amine?
The canonical SMILES for 3,5-bis(prop-2-enyl)adamantan-1-amine is C=CCC12CC3CC(N)(C1)CC(CC=C)(C3)C2.
What is the InChIKey of 3,5-bis(prop-2-enyl)adamantan-1-amine?
The InChIKey is YILQIYHOZPAKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-5-14-7-13-8-15(10-14,6-4-2)12-16(17,9-13)11-14/h3-4,13H,1-2,5-12,17H2.
What are the key properties of 3,5-bis(prop-2-enyl)adamantan-1-amine?
3,5-bis(prop-2-enyl)adamantan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(prop-2-enyl)adamantan-1-amine is sourced from PubChem (CID 66809931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).