1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine

C16H27N3 — CID 106572488

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC2CC3CCC2C3)c(NCC(C)C)n1
InChIInChI=1S/C16H27N3/c1-11(2)8-17-16-18-12(3)9-19(16)10-15-7-13-4-5-14(15)6-13/h9,11,13-15H,4-8,10H2,1-3H3,(H,17,18)
InChIKeyRIKWXNQCMKDYIA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.70
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine

1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106572488) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106572488
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC2CC3CCC2C3)c(NCC(C)C)n1
InChIInChI=1S/C16H27N3/c1-11(2)8-17-16-18-12(3)9-19(16)10-15-7-13-4-5-14(15)6-13/h9,11,13-15H,4-8,10H2,1-3H3,(H,17,18)
InChIKeyRIKWXNQCMKDYIA-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine (CID 106572488) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine is Cc1cn(CC2CC3CCC2C3)c(NCC(C)C)n1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is RIKWXNQCMKDYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-11(2)8-17-16-18-12(3)9-19(16)10-15-7-13-4-5-14(15)6-13/h9,11,13-15H,4-8,10H2,1-3H3,(H,17,18).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106572488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).