N',2-dimethyl-1H-indole-3-carboximidamide

C11H13N3 — CID 136995829

IUPACN',2-dimethyl-1H-indole-3-carboximidamide
SMILESC/N=C(\N)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C11H13N3/c1-7-10(11(12)13-2)8-5-3-4-6-9(8)14-7/h3-6,14H,1-2H3,(H2,12,13)
InChIKeyRYELCLLMWVVFPC-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.81
Rot. Bonds1

About N',2-dimethyl-1H-indole-3-carboximidamide

N',2-dimethyl-1H-indole-3-carboximidamide (PubChem CID 136995829) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N',2-dimethyl-1H-indole-3-carboximidamide.

Molecular Properties

Compound NameN',2-dimethyl-1H-indole-3-carboximidamide
PubChem CID136995829
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN',2-dimethyl-1H-indole-3-carboximidamide
SMILESC/N=C(\N)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C11H13N3/c1-7-10(11(12)13-2)8-5-3-4-6-9(8)14-7/h3-6,14H,1-2H3,(H2,12,13)
InChIKeyRYELCLLMWVVFPC-UHFFFAOYSA-N
XLogP1.81
TPSA54.17 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.81
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

CID 170645728
CID 170645728
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
(E)-4-(2-methyl-1H-indol-3-yl)pent-3-en-2-one
CID 66575320
4,4-bis(2-methyl-1H-indol-3-yl)but-3-en-2-one
CID 134840474
(2-methyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339223
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one
CID 103309361
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
(3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 16764531

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-1H-indole-3-carboximidamide?
The IUPAC name of N',2-dimethyl-1H-indole-3-carboximidamide (CID 136995829) is N',2-dimethyl-1H-indole-3-carboximidamide.
What is the SMILES notation for N',2-dimethyl-1H-indole-3-carboximidamide?
The canonical SMILES for N',2-dimethyl-1H-indole-3-carboximidamide is C/N=C(\N)c1c(C)[nH]c2ccccc12.
What is the InChIKey of N',2-dimethyl-1H-indole-3-carboximidamide?
The InChIKey is RYELCLLMWVVFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-10(11(12)13-2)8-5-3-4-6-9(8)14-7/h3-6,14H,1-2H3,(H2,12,13).
What are the key properties of N',2-dimethyl-1H-indole-3-carboximidamide?
N',2-dimethyl-1H-indole-3-carboximidamide has a molecular weight of 187.25 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-1H-indole-3-carboximidamide is sourced from PubChem (CID 136995829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).