5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde

C15H18N2O — CID 22638743

IUPAC5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde
SMILESCN(C)CC1CC1c1ccc2[nH]cc(C=O)c2c1
InChIInChI=1S/C15H18N2O/c1-17(2)8-11-6-13(11)10-3-4-15-14(5-10)12(9-18)7-16-15/h3-5,7,9,11,13,16H,6,8H2,1-2H3
InChIKeyDLERNKMQYTYZDG-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.65
Rot. Bonds4

About 5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde

5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde (PubChem CID 22638743) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde
PubChem CID22638743
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde
SMILESCN(C)CC1CC1c1ccc2[nH]cc(C=O)c2c1
InChIInChI=1S/C15H18N2O/c1-17(2)8-11-6-13(11)10-3-4-15-14(5-10)12(9-18)7-16-15/h3-5,7,9,11,13,16H,6,8H2,1-2H3
InChIKeyDLERNKMQYTYZDG-UHFFFAOYSA-N
XLogP2.65
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine
CID 23518962
5-(fluoromethyl)-1H-indole-3-carbaldehyde
CID 163735426
N-[(3-formyl-1H-indol-5-yl)methyl]acetamide
CID 22139326
1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine
CID 86591648
5-(2,2,2-trifluoroethyl)-1H-indole-3-carbaldehyde
CID 96602958
5-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 4186285
1-[(1S,2S)-2-(5-isocyano-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine
CID 58697553
N-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide
CID 3615128
5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde
CID 22605383
5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde
CID 141367620
5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-indole-3-carbaldehyde
CID 123253866
ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate
CID 83972080

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde?
The IUPAC name of 5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde (CID 22638743) is 5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde is CN(C)CC1CC1c1ccc2[nH]cc(C=O)c2c1.
What is the InChIKey of 5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde?
The InChIKey is DLERNKMQYTYZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17(2)8-11-6-13(11)10-3-4-15-14(5-10)12(9-18)7-16-15/h3-5,7,9,11,13,16H,6,8H2,1-2H3.
What are the key properties of 5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde?
5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde has a molecular weight of 242.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(dimethylamino)methyl]cyclopropyl]-1H-indole-3-carbaldehyde is sourced from PubChem (CID 22638743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).