4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine

C19H30N4O — CID 119110487

IUPAC4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine
SMILESCC1CN(CCCCNCc2nc3ccccc3n2C)CC(C)O1
InChIInChI=1S/C19H30N4O/c1-15-13-23(14-16(2)24-15)11-7-6-10-20-12-19-21-17-8-4-5-9-18(17)22(19)3/h4-5,8-9,15-16,20H,6-7,10-14H2,1-3H3
InChIKeyNJSRNCHHJUNWOG-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.55
Rot. Bonds7

About 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine

4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine (PubChem CID 119110487) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine
PubChem CID119110487
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine
SMILESCC1CN(CCCCNCc2nc3ccccc3n2C)CC(C)O1
InChIInChI=1S/C19H30N4O/c1-15-13-23(14-16(2)24-15)11-7-6-10-20-12-19-21-17-8-4-5-9-18(17)22(19)3/h4-5,8-9,15-16,20H,6-7,10-14H2,1-3H3
InChIKeyNJSRNCHHJUNWOG-UHFFFAOYSA-N
XLogP2.55
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-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-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 115639506
(2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone
CID 119110424
N-[(1-methylbenzimidazol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632872
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
N-[(4-bromophenyl)methyl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butan-1-amine
CID 94939280
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614962
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95159798
N'-cyclopropyl-N'-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 103641500
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylsulfanylethanamine
CID 62999735
2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 63032804
1-(1-methylbenzimidazol-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724272
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79559017

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine (CID 119110487) is 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine is CC1CN(CCCCNCc2nc3ccccc3n2C)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine?
The InChIKey is NJSRNCHHJUNWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-15-13-23(14-16(2)24-15)11-7-6-10-20-12-19-21-17-8-4-5-9-18(17)22(19)3/h4-5,8-9,15-16,20H,6-7,10-14H2,1-3H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine?
4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine has a molecular weight of 330.48 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 119110487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).