N'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide

C14H17N3 — CID 137205934

IUPACN'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide
SMILESCc1cc(C)c2c(/C(N)=N/C3CC3)c[nH]c2c1
InChIInChI=1S/C14H17N3/c1-8-5-9(2)13-11(7-16-12(13)6-8)14(15)17-10-3-4-10/h5-7,10,16H,3-4H2,1-2H3,(H2,15,17)
InChIKeyBBHXTRGEQDPBTR-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.65
Rot. Bonds2

About N'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide

N'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide (PubChem CID 137205934) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide
PubChem CID137205934
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide
SMILESCc1cc(C)c2c(/C(N)=N/C3CC3)c[nH]c2c1
InChIInChI=1S/C14H17N3/c1-8-5-9(2)13-11(7-16-12(13)6-8)14(15)17-10-3-4-10/h5-7,10,16H,3-4H2,1-2H3,(H2,15,17)
InChIKeyBBHXTRGEQDPBTR-UHFFFAOYSA-N
XLogP2.65
TPSA54.17 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide?
The IUPAC name of N'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide (CID 137205934) is N'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide?
The canonical SMILES for N'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide is Cc1cc(C)c2c(/C(N)=N/C3CC3)c[nH]c2c1.
What is the InChIKey of N'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide?
The InChIKey is BBHXTRGEQDPBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-8-5-9(2)13-11(7-16-12(13)6-8)14(15)17-10-3-4-10/h5-7,10,16H,3-4H2,1-2H3,(H2,15,17).
What are the key properties of N'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide?
N'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide has a molecular weight of 227.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-4,6-dimethyl-1H-indole-3-carboximidamide is sourced from PubChem (CID 137205934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).