N,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide

C14H23N3O — CID 83214183

IUPACN,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide
SMILESCNC1CCCc2cn(CCC(=O)N(C)C)cc21
InChIInChI=1S/C14H23N3O/c1-15-13-6-4-5-11-9-17(10-12(11)13)8-7-14(18)16(2)3/h9-10,13,15H,4-8H2,1-3H3
InChIKeyXJFKRGGZSSMEGB-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.56
Rot. Bonds4

About N,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide

N,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide (PubChem CID 83214183) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide
PubChem CID83214183
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide
SMILESCNC1CCCc2cn(CCC(=O)N(C)C)cc21
InChIInChI=1S/C14H23N3O/c1-15-13-6-4-5-11-9-17(10-12(11)13)8-7-14(18)16(2)3/h9-10,13,15H,4-8H2,1-3H3
InChIKeyXJFKRGGZSSMEGB-UHFFFAOYSA-N
XLogP1.56
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide (CID 83214183) is N,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide is CNC1CCCc2cn(CCC(=O)N(C)C)cc21.
What is the InChIKey of N,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide?
The InChIKey is XJFKRGGZSSMEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-15-13-6-4-5-11-9-17(10-12(11)13)8-7-14(18)16(2)3/h9-10,13,15H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide?
N,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide has a molecular weight of 249.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]propanamide is sourced from PubChem (CID 83214183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).