3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine

C17H28N4O — CID 110449631

IUPAC3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine
SMILESCN(C)c1ccc2c(c1)C(CN)N(CCN1CCOCC1)C2
InChIInChI=1S/C17H28N4O/c1-19(2)15-4-3-14-13-21(17(12-18)16(14)11-15)6-5-20-7-9-22-10-8-20/h3-4,11,17H,5-10,12-13,18H2,1-2H3
InChIKeyFNQQJQHAKULQOO-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.90
Rot. Bonds5

About 3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine

3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine (PubChem CID 110449631) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine
PubChem CID110449631
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine
SMILESCN(C)c1ccc2c(c1)C(CN)N(CCN1CCOCC1)C2
InChIInChI=1S/C17H28N4O/c1-19(2)15-4-3-14-13-21(17(12-18)16(14)11-15)6-5-20-7-9-22-10-8-20/h3-4,11,17H,5-10,12-13,18H2,1-2H3
InChIKeyFNQQJQHAKULQOO-UHFFFAOYSA-N
XLogP0.90
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-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

3-(aminomethyl)-2-(3-imidazol-1-ylpropyl)-N,N-dimethyl-1,3-dihydroisoindol-5-amine
CID 82544969
[6-methyl-2-(4-pyrrolidin-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545752
5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine
CID 101174054
N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine
CID 117006197
[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545777
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
[6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82544636
4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine
CID 110457303
4-N-(2-morpholin-4-ylethyl)-4-N-propylbenzene-1,4-diamine
CID 63233562
4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline
CID 59746476
N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline
CID 170870635
3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
CID 82545798

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine (CID 110449631) is 3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine is CN(C)c1ccc2c(c1)C(CN)N(CCN1CCOCC1)C2.
What is the InChIKey of 3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is FNQQJQHAKULQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-19(2)15-4-3-14-13-21(17(12-18)16(14)11-15)6-5-20-7-9-22-10-8-20/h3-4,11,17H,5-10,12-13,18H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine?
3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 304.44 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 110449631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).