N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine

C12H21N3 — CID 120971853

IUPACN-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC12CCC(CC1)C2
InChIInChI=1S/C12H21N3/c1-15-7-6-13-11(15)14-9-12-4-2-10(8-12)3-5-12/h10H,2-9H2,1H3,(H,13,14)
InChIKeyNSZBQGMLBGMLKO-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.46
Rot. Bonds2

About N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine

N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120971853) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120971853
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC12CCC(CC1)C2
InChIInChI=1S/C12H21N3/c1-15-7-6-13-11(15)14-9-12-4-2-10(8-12)3-5-12/h10H,2-9H2,1H3,(H,13,14)
InChIKeyNSZBQGMLBGMLKO-UHFFFAOYSA-N
XLogP1.46
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine (CID 120971853) is N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCC12CCC(CC1)C2.
What is the InChIKey of N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is NSZBQGMLBGMLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-15-7-6-13-11(15)14-9-12-4-2-10(8-12)3-5-12/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120971853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).