1-(1-adamantyl)-N-methylbut-3-en-1-amine

C15H25N — CID 62796405

IUPAC1-(1-adamantyl)-N-methylbut-3-en-1-amine
SMILESC=CCC(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25N/c1-3-4-14(16-2)15-8-11-5-12(9-15)7-13(6-11)10-15/h3,11-14,16H,1,4-10H2,2H3
InChIKeyIYUSCLRPNRCYQB-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.37
Rot. Bonds4

About 1-(1-adamantyl)-N-methylbut-3-en-1-amine

1-(1-adamantyl)-N-methylbut-3-en-1-amine (PubChem CID 62796405) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-methylbut-3-en-1-amine
PubChem CID62796405
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(1-adamantyl)-N-methylbut-3-en-1-amine
SMILESC=CCC(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25N/c1-3-4-14(16-2)15-8-11-5-12(9-15)7-13(6-11)10-15/h3,11-14,16H,1,4-10H2,2H3
InChIKeyIYUSCLRPNRCYQB-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.37
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 1-(1-adamantyl)-N-methylbut-3-en-1-amine?
The IUPAC name of 1-(1-adamantyl)-N-methylbut-3-en-1-amine (CID 62796405) is 1-(1-adamantyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(1-adamantyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 1-(1-adamantyl)-N-methylbut-3-en-1-amine is C=CCC(NC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-methylbut-3-en-1-amine?
The InChIKey is IYUSCLRPNRCYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-4-14(16-2)15-8-11-5-12(9-15)7-13(6-11)10-15/h3,11-14,16H,1,4-10H2,2H3.
What are the key properties of 1-(1-adamantyl)-N-methylbut-3-en-1-amine?
1-(1-adamantyl)-N-methylbut-3-en-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 62796405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).