N'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide

C19H21N3S — CID 163470170

IUPACN'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)C(C1=CCCCC1)CN2)c1cccs1
InChIInChI=1S/C19H21N3S/c20-19(18-7-4-10-23-18)22-14-8-9-17-15(11-14)16(12-21-17)13-5-2-1-3-6-13/h4-5,7-11,16,21H,1-3,6,12H2,(H2,20,22)
InChIKeyBVXHKZKVVBJLQV-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.79
Rot. Bonds3

About N'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide

N'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide (PubChem CID 163470170) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is N'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide
PubChem CID163470170
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC NameN'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)C(C1=CCCCC1)CN2)c1cccs1
InChIInChI=1S/C19H21N3S/c20-19(18-7-4-10-23-18)22-14-8-9-17-15(11-14)16(12-21-17)13-5-2-1-3-6-13/h4-5,7-11,16,21H,1-3,6,12H2,(H2,20,22)
InChIKeyBVXHKZKVVBJLQV-UHFFFAOYSA-N
XLogP4.79
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)thiophene-2-carboximidamide
CID 67644716
N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)thiophene-2-carboximidamide;dihydrochloride
CID 67644715
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide
CID 89321382
N'-(2-amino-2,3-dihydro-1H-inden-5-yl)thiophene-2-carboximidamide
CID 15871446
N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide
CID 70141265
3-(cyclohexen-1-yl)-2,3-dihydro-1H-indole-6-carboxylic acid
CID 70793484
N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide
CID 10199347
N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
4-[7-[[amino(thiophen-2-yl)methylidene]amino]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]piperidine-1-carboxylic acid
CID 67492758
N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride
CID 90665208
N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
CID 56950186

Frequently Asked Questions

What is the IUPAC name of N'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide (CID 163470170) is N'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide is N/C(=N\c1ccc2c(c1)C(C1=CCCCC1)CN2)c1cccs1.
What is the InChIKey of N'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide?
The InChIKey is BVXHKZKVVBJLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c20-19(18-7-4-10-23-18)22-14-8-9-17-15(11-14)16(12-21-17)13-5-2-1-3-6-13/h4-5,7-11,16,21H,1-3,6,12H2,(H2,20,22).
What are the key properties of N'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide?
N'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide has a molecular weight of 323.47 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclohexen-1-yl)-2,3-dihydro-1H-indol-5-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 163470170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).