1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide

C14H17N3O — CID 114015889

IUPAC1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide
SMILESN/C(=N/O)c1cccc2c1ccn2CCC1CC1
InChIInChI=1S/C14H17N3O/c15-14(16-18)12-2-1-3-13-11(12)7-9-17(13)8-6-10-4-5-10/h1-3,7,9-10,18H,4-6,8H2,(H2,15,16)
InChIKeyUGYWBSVMZOWZBU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.54
Rot. Bonds4

About 1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide

1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide (PubChem CID 114015889) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide
PubChem CID114015889
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide
SMILESN/C(=N/O)c1cccc2c1ccn2CCC1CC1
InChIInChI=1S/C14H17N3O/c15-14(16-18)12-2-1-3-13-11(12)7-9-17(13)8-6-10-4-5-10/h1-3,7,9-10,18H,4-6,8H2,(H2,15,16)
InChIKeyUGYWBSVMZOWZBU-UHFFFAOYSA-N
XLogP2.54
TPSA63.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.54
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-N'-hydroxyindole-4-carboximidamide
CID 107919489
N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide
CID 107919584
1-(2,2-difluoroethyl)-N'-hydroxyindole-4-carboximidamide
CID 107919513
2-[4-(N'-hydroxycarbamimidoyl)indol-1-yl]acetic acid
CID 173101260
[1-(2-cyclopropylethyl)indol-4-yl]methanamine
CID 107919256
1-(2-cyclopentylethyl)-4-methylindole
CID 114192720
1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxyindole-4-carboximidamide
CID 107919516
N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide
CID 107919541
4-methyl-1-(2-piperidin-4-ylethyl)indole
CID 61348096
2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109701
1-(cyclohexylmethyl)indole-4-carboxylic acid
CID 43316618
1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide
CID 114654865

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide?
The IUPAC name of 1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide (CID 114015889) is 1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide.
What is the SMILES notation for 1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide?
The canonical SMILES for 1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide is N/C(=N/O)c1cccc2c1ccn2CCC1CC1.
What is the InChIKey of 1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide?
The InChIKey is UGYWBSVMZOWZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-14(16-18)12-2-1-3-13-11(12)7-9-17(13)8-6-10-4-5-10/h1-3,7,9-10,18H,4-6,8H2,(H2,15,16).
What are the key properties of 1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide?
1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide has a molecular weight of 243.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide is sourced from PubChem (CID 114015889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).