N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine

C14H18N4 — CID 105358195

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine
SMILESCCn1ccnc1NCc1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N4/c1-2-18-6-5-16-14(18)17-8-11-3-4-12-9-15-10-13(12)7-11/h3-7,15H,2,8-10H2,1H3,(H,16,17)
InChIKeyBCRFZWQVYGWQMG-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.12
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine (PubChem CID 105358195) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine
PubChem CID105358195
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine
SMILESCCn1ccnc1NCc1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N4/c1-2-18-6-5-16-14(18)17-8-11-3-4-12-9-15-10-13(12)7-11/h3-7,15H,2,8-10H2,1H3,(H,16,17)
InChIKeyBCRFZWQVYGWQMG-UHFFFAOYSA-N
XLogP2.12
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62539605
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine
CID 114252253
1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazol-2-amine
CID 62136959
3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyrazine-2-carbonitrile
CID 105358018
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 105358167
N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine
CID 106570097
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 105358113
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 105357866
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62136767
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 105357862
4-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136743847
N-[(2,4-dimethoxyphenyl)methyl]-1-ethylimidazol-2-amine
CID 63362794

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine (CID 105358195) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine is CCn1ccnc1NCc1ccc2c(c1)CNC2.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine?
The InChIKey is BCRFZWQVYGWQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-18-6-5-16-14(18)17-8-11-3-4-12-9-15-10-13(12)7-11/h3-7,15H,2,8-10H2,1H3,(H,16,17).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine is sourced from PubChem (CID 105358195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).