2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide

C16H23N3O — CID 62081534

IUPAC2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide
SMILESCN1CCc2cc(CC(CN)C(=O)NC3CC3)ccc21
InChIInChI=1S/C16H23N3O/c1-19-7-6-12-8-11(2-5-15(12)19)9-13(10-17)16(20)18-14-3-4-14/h2,5,8,13-14H,3-4,6-7,9-10,17H2,1H3,(H,18,20)
InChIKeyUEQPFARUUGZZOQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.07
Rot. Bonds5

About 2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide

2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide (PubChem CID 62081534) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide
PubChem CID62081534
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide
SMILESCN1CCc2cc(CC(CN)C(=O)NC3CC3)ccc21
InChIInChI=1S/C16H23N3O/c1-19-7-6-12-8-11(2-5-15(12)19)9-13(10-17)16(20)18-14-3-4-14/h2,5,8,13-14H,3-4,6-7,9-10,17H2,1H3,(H,18,20)
InChIKeyUEQPFARUUGZZOQ-UHFFFAOYSA-N
XLogP1.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 55039758
1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one
CID 82506730
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403
2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide
CID 113328886
4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol
CID 55034873
(2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide
CID 110482520
3-(1-methyl-2,3-dihydroindol-5-yl)propan-1-amine
CID 62095510
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 76893768
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837305
2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
CID 65057866

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide (CID 62081534) is 2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide is CN1CCc2cc(CC(CN)C(=O)NC3CC3)ccc21.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide?
The InChIKey is UEQPFARUUGZZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19-7-6-12-8-11(2-5-15(12)19)9-13(10-17)16(20)18-14-3-4-14/h2,5,8,13-14H,3-4,6-7,9-10,17H2,1H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide?
2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide has a molecular weight of 273.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide is sourced from PubChem (CID 62081534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).