2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine

C15H25N3 — CID 78096011

IUPAC2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine
SMILESCc1[nH]cnc1CNC1CC2CC(C1C)C2(C)C
InChIInChI=1S/C15H25N3/c1-9-12-5-11(15(12,3)4)6-13(9)16-7-14-10(2)17-8-18-14/h8-9,11-13,16H,5-7H2,1-4H3,(H,17,18)
InChIKeyPBJZRRVFAQNCME-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.88
Rot. Bonds3

About 2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine

2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine (PubChem CID 78096011) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine
PubChem CID78096011
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine
SMILESCc1[nH]cnc1CNC1CC2CC(C1C)C2(C)C
InChIInChI=1S/C15H25N3/c1-9-12-5-11(15(12,3)4)6-13(9)16-7-14-10(2)17-8-18-14/h8-9,11-13,16H,5-7H2,1-4H3,(H,17,18)
InChIKeyPBJZRRVFAQNCME-UHFFFAOYSA-N
XLogP2.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine?
The IUPAC name of 2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine (CID 78096011) is 2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine.
What is the SMILES notation for 2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine?
The canonical SMILES for 2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine is Cc1[nH]cnc1CNC1CC2CC(C1C)C2(C)C.
What is the InChIKey of 2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine?
The InChIKey is PBJZRRVFAQNCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-9-12-5-11(15(12,3)4)6-13(9)16-7-14-10(2)17-8-18-14/h8-9,11-13,16H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine?
2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine has a molecular weight of 247.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 78096011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).