N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide

C17H26N4O — CID 120661302

IUPACN'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC(C)N2CCc3ccccc32)CCO1
InChIInChI=1S/C17H26N4O/c1-13(21-8-7-15-5-3-4-6-16(15)21)11-19-17(18)20-9-10-22-14(2)12-20/h3-6,13-14H,7-12H2,1-2H3,(H2,18,19)
InChIKeyLVHRXGVJHBGIKU-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.47
Rot. Bonds3

About N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide

N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120661302) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120661302
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC(C)N2CCc3ccccc32)CCO1
InChIInChI=1S/C17H26N4O/c1-13(21-8-7-15-5-3-4-6-16(15)21)11-19-17(18)20-9-10-22-14(2)12-20/h3-6,13-14H,7-12H2,1-2H3,(H2,18,19)
InChIKeyLVHRXGVJHBGIKU-UHFFFAOYSA-N
XLogP1.47
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide
CID 111067772
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide
CID 120661382
N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120661576
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine
CID 111067766
2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide
CID 120661078
N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661071
N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120662236
N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661059
1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide
CID 111067803
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
CID 166222802
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111067792
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide (CID 120661302) is N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/CC(C)N2CCc3ccccc32)CCO1.
What is the InChIKey of N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is LVHRXGVJHBGIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13(21-8-7-15-5-3-4-6-16(15)21)11-19-17(18)20-9-10-22-14(2)12-20/h3-6,13-14H,7-12H2,1-2H3,(H2,18,19).
What are the key properties of N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide?
N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 302.42 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).