5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one

C15H21N3O — CID 115244726

IUPAC5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one
SMILESCNCC1(CNCc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C15H21N3O/c1-16-9-15(4-5-15)10-17-8-11-2-3-13-12(6-11)7-14(19)18-13/h2-3,6,16-17H,4-5,7-10H2,1H3,(H,18,19)
InChIKeyNTUJOBXJTRRDRQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.27
Rot. Bonds6

About 5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one

5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one (PubChem CID 115244726) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one
PubChem CID115244726
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one
SMILESCNCC1(CNCc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C15H21N3O/c1-16-9-15(4-5-15)10-17-8-11-2-3-13-12(6-11)7-14(19)18-13/h2-3,6,16-17H,4-5,7-10H2,1H3,(H,18,19)
InChIKeyNTUJOBXJTRRDRQ-UHFFFAOYSA-N
XLogP1.27
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115204416
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988
4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155707
3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile
CID 115247987
1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244695
2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 115136555
4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115218605
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
CID 115209941
3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115219921
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
CID 115244764

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one (CID 115244726) is 5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one is CNCC1(CNCc2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of 5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one?
The InChIKey is NTUJOBXJTRRDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-9-15(4-5-15)10-17-8-11-2-3-13-12(6-11)7-14(19)18-13/h2-3,6,16-17H,4-5,7-10H2,1H3,(H,18,19).
What are the key properties of 5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one?
5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115244726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).