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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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972304
1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969379
N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972536
N-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971656
1-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120972593
1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120971227
N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972737
N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970289
N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970990
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970433
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972284
N-[[1-(2-methoxyethyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972263

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).