1-methyl-1,3-dihydroisoindole-2-carboximidamide

C10H13N3 — CID 175465604

IUPAC1-methyl-1,3-dihydroisoindole-2-carboximidamide
SMILES[H]/N=C(\N)N1Cc2ccccc2C1C
InChIInChI=1S/C10H13N3/c1-7-9-5-3-2-4-8(9)6-13(7)10(11)12/h2-5,7H,6H2,1H3,(H3,11,12)
InChIKeyIDNNVYVFACHPAO-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.46
Rot. Bonds

About 1-methyl-1,3-dihydroisoindole-2-carboximidamide

1-methyl-1,3-dihydroisoindole-2-carboximidamide (PubChem CID 175465604) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 1-methyl-1,3-dihydroisoindole-2-carboximidamide.

Molecular Properties

Compound Name1-methyl-1,3-dihydroisoindole-2-carboximidamide
PubChem CID175465604
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name1-methyl-1,3-dihydroisoindole-2-carboximidamide
SMILES[H]/N=C(\N)N1Cc2ccccc2C1C
InChIInChI=1S/C10H13N3/c1-7-9-5-3-2-4-8(9)6-13(7)10(11)12/h2-5,7H,6H2,1H3,(H3,11,12)
InChIKeyIDNNVYVFACHPAO-UHFFFAOYSA-N
XLogP1.46
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-methyl-1,3-dihydroisoindol-2-yl]prop-2-en-1-one
CID 166406899
ethyl 1-methyl-1,3-dihydroisoindole-2-carboxylate
CID 126758255
1,2-dimethyl-1,3-dihydroisoindole
CID 14708634
2-N-(diaminomethylidene)-1,3-dihydroisoindole-1,2-dicarboximidamide
CID 141469430
(2R)-2-methylazetidine-1-carboximidamide
CID 146189041
2-cyclopropyl-1-methyl-1,3-dihydroisoindole
CID 12953710
2-(3,5-dichloro-4-pyridinyl)-1-[(1S)-1-methyl-1,3-dihydroisoindol-2-yl]ethanone
CID 121269735
tert-butyl-hydroxy-[(1S)-1-methyl-1,3-dihydroisoindol-2-yl]sulfanium
CID 158139472
ethane;1-methyl-1,3-dihydroisoindole-2-carbonitrile
CID 156894592
2-(1-methyl-1,3-dihydroisoindol-2-yl)acetic acid
CID 126989453
3,4-dihydro-1H-isochromene-1-carboximidamide
CID 75480377
bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride
CID 71758321

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-dihydroisoindole-2-carboximidamide?
The IUPAC name of 1-methyl-1,3-dihydroisoindole-2-carboximidamide (CID 175465604) is 1-methyl-1,3-dihydroisoindole-2-carboximidamide.
What is the SMILES notation for 1-methyl-1,3-dihydroisoindole-2-carboximidamide?
The canonical SMILES for 1-methyl-1,3-dihydroisoindole-2-carboximidamide is [H]/N=C(\N)N1Cc2ccccc2C1C.
What is the InChIKey of 1-methyl-1,3-dihydroisoindole-2-carboximidamide?
The InChIKey is IDNNVYVFACHPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-7-9-5-3-2-4-8(9)6-13(7)10(11)12/h2-5,7H,6H2,1H3,(H3,11,12).
What are the key properties of 1-methyl-1,3-dihydroisoindole-2-carboximidamide?
1-methyl-1,3-dihydroisoindole-2-carboximidamide has a molecular weight of 175.24 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-dihydroisoindole-2-carboximidamide is sourced from PubChem (CID 175465604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).