N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine

C18H25N5O2 — CID 171519353

IUPACN-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine
SMILESCN.[H]/N=C/C(COc1ccc2cc(CNC(=O)C3(C)CC3)[nH]c2c1)=N\[H]
InChIInChI=1S/C17H20N4O2.CH5N/c1-17(4-5-17)16(22)20-9-13-6-11-2-3-14(7-15(11)21-13)23-10-12(19)8-18;1-2/h2-3,6-8,18-19,21H,4-5,9-10H2,1H3,(H,20,22);2H2,1H3/b18-8+,19-12+;
InChIKeyGLQPSEXCNWKGRK-MVULTWQKSA-N
MW343.43 g/mol
LogP2.21
Rot. Bonds7

About N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine

N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine (PubChem CID 171519353) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine.

Molecular Properties

Compound NameN-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine
PubChem CID171519353
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine
SMILESCN.[H]/N=C/C(COc1ccc2cc(CNC(=O)C3(C)CC3)[nH]c2c1)=N\[H]
InChIInChI=1S/C17H20N4O2.CH5N/c1-17(4-5-17)16(22)20-9-13-6-11-2-3-14(7-15(11)21-13)23-10-12(19)8-18;1-2/h2-3,6-8,18-19,21H,4-5,9-10H2,1H3,(H,20,22);2H2,1H3/b18-8+,19-12+;
InChIKeyGLQPSEXCNWKGRK-MVULTWQKSA-N
XLogP2.21
TPSA127.84 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519355
N-[[6-[(Z)-4-amino-2-oxobut-3-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519150
N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 171517883
1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518196
1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171519707
N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519678
1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171519749
N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518927
1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517859
N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519626
1-methyl-N-[[5-[(E)-3-(methylamino)prop-2-enoyl]-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517964
N-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethenyl]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 174242736

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine?
The IUPAC name of N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine (CID 171519353) is N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine.
What is the SMILES notation for N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine?
The canonical SMILES for N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine is CN.[H]/N=C/C(COc1ccc2cc(CNC(=O)C3(C)CC3)[nH]c2c1)=N\[H].
What is the InChIKey of N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine?
The InChIKey is GLQPSEXCNWKGRK-MVULTWQKSA-N. The full InChI is InChI=1S/C17H20N4O2.CH5N/c1-17(4-5-17)16(22)20-9-13-6-11-2-3-14(7-15(11)21-13)23-10-12(19)8-18;1-2/h2-3,6-8,18-19,21H,4-5,9-10H2,1H3,(H,20,22);2H2,1H3/b18-8+,19-12+;.
What are the key properties of N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine?
N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine has a molecular weight of 343.43 g/mol, XLogP of 2.21, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine is sourced from PubChem (CID 171519353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).