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

C17H29N3 — CID 78115623

IUPACN-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
SMILESCCc1nc(CNC2CC3CC(C2C)C3(C)C)c(C)[nH]1
InChIInChI=1S/C17H29N3/c1-6-16-19-11(3)15(20-16)9-18-14-8-12-7-13(10(14)2)17(12,4)5/h10,12-14,18H,6-9H2,1-5H3,(H,19,20)
InChIKeyRQXKTYPWKWDMIK-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.44
Rot. Bonds4

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

N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine (PubChem CID 78115623) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
PubChem CID78115623
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
SMILESCCc1nc(CNC2CC3CC(C2C)C3(C)C)c(C)[nH]1
InChIInChI=1S/C17H29N3/c1-6-16-19-11(3)15(20-16)9-18-14-8-12-7-13(10(14)2)17(12,4)5/h10,12-14,18H,6-9H2,1-5H3,(H,19,20)
InChIKeyRQXKTYPWKWDMIK-UHFFFAOYSA-N
XLogP3.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
The IUPAC name of N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine (CID 78115623) is N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine.
What is the SMILES notation for N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
The canonical SMILES for N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine is CCc1nc(CNC2CC3CC(C2C)C3(C)C)c(C)[nH]1.
What is the InChIKey of N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
The InChIKey is RQXKTYPWKWDMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-6-16-19-11(3)15(20-16)9-18-14-8-12-7-13(10(14)2)17(12,4)5/h10,12-14,18H,6-9H2,1-5H3,(H,19,20).
What are the key properties of N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine has a molecular weight of 275.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 78115623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).