N-tert-butyl-4-methylideneadamantan-1-amine

C15H25N — CID 126550964

IUPACN-tert-butyl-4-methylideneadamantan-1-amine
SMILESC=C1C2CC3CC1CC(NC(C)(C)C)(C3)C2
InChIInChI=1S/C15H25N/c1-10-12-5-11-6-13(10)9-15(7-11,8-12)16-14(2,3)4/h11-13,16H,1,5-9H2,2-4H3
InChIKeyZQGSDADTINJAPC-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.51
Rot. Bonds1

About N-tert-butyl-4-methylideneadamantan-1-amine

N-tert-butyl-4-methylideneadamantan-1-amine (PubChem CID 126550964) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-tert-butyl-4-methylideneadamantan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methylideneadamantan-1-amine
PubChem CID126550964
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-tert-butyl-4-methylideneadamantan-1-amine
SMILESC=C1C2CC3CC1CC(NC(C)(C)C)(C3)C2
InChIInChI=1S/C15H25N/c1-10-12-5-11-6-13(10)9-15(7-11,8-12)16-14(2,3)4/h11-13,16H,1,5-9H2,2-4H3
InChIKeyZQGSDADTINJAPC-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.51
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 N-tert-butyl-4-methylideneadamantan-1-amine?
The IUPAC name of N-tert-butyl-4-methylideneadamantan-1-amine (CID 126550964) is N-tert-butyl-4-methylideneadamantan-1-amine.
What is the SMILES notation for N-tert-butyl-4-methylideneadamantan-1-amine?
The canonical SMILES for N-tert-butyl-4-methylideneadamantan-1-amine is C=C1C2CC3CC1CC(NC(C)(C)C)(C3)C2.
What is the InChIKey of N-tert-butyl-4-methylideneadamantan-1-amine?
The InChIKey is ZQGSDADTINJAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-10-12-5-11-6-13(10)9-15(7-11,8-12)16-14(2,3)4/h11-13,16H,1,5-9H2,2-4H3.
What are the key properties of N-tert-butyl-4-methylideneadamantan-1-amine?
N-tert-butyl-4-methylideneadamantan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylideneadamantan-1-amine is sourced from PubChem (CID 126550964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).