N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline

C16H24N4 — CID 63025572

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1ccccc1N(C)Cc1nccn1C
InChIInChI=1S/C16H24N4/c1-13(2)18-11-14-7-5-6-8-15(14)20(4)12-16-17-9-10-19(16)3/h5-10,13,18H,11-12H2,1-4H3
InChIKeyADGQOHWEFUEFQC-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.55
Rot. Bonds6

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline (PubChem CID 63025572) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
PubChem CID63025572
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1ccccc1N(C)Cc1nccn1C
InChIInChI=1S/C16H24N4/c1-13(2)18-11-14-7-5-6-8-15(14)20(4)12-16-17-9-10-19(16)3/h5-10,13,18H,11-12H2,1-4H3
InChIKeyADGQOHWEFUEFQC-UHFFFAOYSA-N
XLogP2.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63795220
N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656
(1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
CID 63371947
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563622
N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114527122
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553389
N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine
CID 102914690
N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249514
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010388
N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-2-amine
CID 61213282

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline (CID 63025572) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline is CC(C)NCc1ccccc1N(C)Cc1nccn1C.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline?
The InChIKey is ADGQOHWEFUEFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13(2)18-11-14-7-5-6-8-15(14)20(4)12-16-17-9-10-19(16)3/h5-10,13,18H,11-12H2,1-4H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline has a molecular weight of 272.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 63025572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).