4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline

C16H24N4 — CID 66130355

IUPAC4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccc(CN(C)C)cc1
InChIInChI=1S/C16H24N4/c1-4-9-20-13-17-10-16(20)11-18-15-7-5-14(6-8-15)12-19(2)3/h5-8,10,13,18H,4,9,11-12H2,1-3H3
InChIKeyZPARFUWANGYVCV-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.97
Rot. Bonds7

About 4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline

4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 66130355) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID66130355
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccc(CN(C)C)cc1
InChIInChI=1S/C16H24N4/c1-4-9-20-13-17-10-16(20)11-18-15-7-5-14(6-8-15)12-19(2)3/h5-8,10,13,18H,4,9,11-12H2,1-3H3
InChIKeyZPARFUWANGYVCV-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134569
3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134981
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline
CID 66162533
methyl 4-[(3-propylimidazol-4-yl)methylamino]benzoate
CID 66132729
N-[(3-propylimidazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)aniline
CID 66129543
N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline
CID 66130745
N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline
CID 66134574
1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 66135408
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
3-[(3-propylimidazol-4-yl)methylamino]phenol
CID 66134782
3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130531
3-bromo-4-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132384

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 66130355) is 4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1ccc(CN(C)C)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is ZPARFUWANGYVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-9-20-13-17-10-16(20)11-18-15-7-5-14(6-8-15)12-19(2)3/h5-8,10,13,18H,4,9,11-12H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline?
4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline has a molecular weight of 272.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66130355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).