N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline

C16H24N4 — CID 66134574

IUPACN,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline
SMILESCCCn1cncc1CNCc1ccc(N(C)C)cc1
InChIInChI=1S/C16H24N4/c1-4-9-20-13-18-12-16(20)11-17-10-14-5-7-15(8-6-14)19(2)3/h5-8,12-13,17H,4,9-11H2,1-3H3
InChIKeyXOSRRLYRWLYRHI-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.65
Rot. Bonds7

About N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline

N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline (PubChem CID 66134574) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline
PubChem CID66134574
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline
SMILESCCCn1cncc1CNCc1ccc(N(C)C)cc1
InChIInChI=1S/C16H24N4/c1-4-9-20-13-18-12-16(20)11-17-10-14-5-7-15(8-6-14)19(2)3/h5-8,12-13,17H,4,9-11H2,1-3H3
InChIKeyXOSRRLYRWLYRHI-UHFFFAOYSA-N
XLogP2.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline 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

1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 66129988
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine
CID 66116948
4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130355
1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106009505
N-[(3-propylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 66133126
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66134874
4-chloro-1-N,1-N-dimethyl-2-N-[(3-propylimidazol-4-yl)methyl]benzene-1,2-diamine
CID 66131548
N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 66133760
1,1-dimethyl-3-[2-[(3-propylimidazol-4-yl)methylamino]ethyl]urea
CID 83116947

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline (CID 66134574) is N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline is CCCn1cncc1CNCc1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline?
The InChIKey is XOSRRLYRWLYRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-9-20-13-18-12-16(20)11-17-10-14-5-7-15(8-6-14)19(2)3/h5-8,12-13,17H,4,9-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline?
N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline has a molecular weight of 272.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline is sourced from PubChem (CID 66134574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).