N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine

C15H19N3 — CID 113420161

IUPACN-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine
SMILESCCN(Cc1cncc2ccccc12)C1CNC1
InChIInChI=1S/C15H19N3/c1-2-18(14-9-17-10-14)11-13-8-16-7-12-5-3-4-6-15(12)13/h3-8,14,17H,2,9-11H2,1H3
InChIKeyFRVVMHQTEZSBPX-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.03
Rot. Bonds4

About N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine

N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine (PubChem CID 113420161) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine
PubChem CID113420161
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine
SMILESCCN(Cc1cncc2ccccc12)C1CNC1
InChIInChI=1S/C15H19N3/c1-2-18(14-9-17-10-14)11-13-8-16-7-12-5-3-4-6-15(12)13/h3-8,14,17H,2,9-11H2,1H3
InChIKeyFRVVMHQTEZSBPX-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine
CID 66181431
N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine
CID 66181429
N-(isoquinolin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973999
N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine
CID 66182713
N-(azetidin-3-yl)-N-ethylphthalazin-1-amine
CID 66182409
N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine
CID 66184494
N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride
CID 146064325
N-(1,3-benzothiazol-2-ylmethyl)-N-ethylazetidin-3-amine
CID 66181532
N-(isoquinolin-4-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106602512
4-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]isoquinoline
CID 104504396
N-[(2,6-dichlorophenyl)methyl]-N-ethylazetidin-3-amine
CID 66182519
4-(3-bromohexyl)isoquinoline
CID 64509411

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine?
The IUPAC name of N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine (CID 113420161) is N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine?
The canonical SMILES for N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine is CCN(Cc1cncc2ccccc12)C1CNC1.
What is the InChIKey of N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine?
The InChIKey is FRVVMHQTEZSBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-18(14-9-17-10-14)11-13-8-16-7-12-5-3-4-6-15(12)13/h3-8,14,17H,2,9-11H2,1H3.
What are the key properties of N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine?
N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine has a molecular weight of 241.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 113420161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).