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

C16H22N4 — CID 66162533

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccc(NCc2cncn2C2CC2)cc1
InChIInChI=1S/C16H22N4/c1-19(2)11-13-3-5-14(6-4-13)18-10-16-9-17-12-20(16)15-7-8-15/h3-6,9,12,15,18H,7-8,10-11H2,1-2H3
InChIKeyPIPSNUMDCACJFL-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.89
Rot. Bonds6

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

N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline (PubChem CID 66162533) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline
PubChem CID66162533
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccc(NCc2cncn2C2CC2)cc1
InChIInChI=1S/C16H22N4/c1-19(2)11-13-3-5-14(6-4-13)18-10-16-9-17-12-20(16)15-7-8-15/h3-6,9,12,15,18H,7-8,10-11H2,1-2H3
InChIKeyPIPSNUMDCACJFL-UHFFFAOYSA-N
XLogP2.89
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide
CID 119071961
4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130355
N-[(3-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-amine
CID 107588333
3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 66162069
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 66163753
4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide
CID 66164704
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 66162070
6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine
CID 81266001
4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-fluoroaniline
CID 66162716
N-[(3-cyclopropylimidazol-4-yl)methyl]-1H-indazol-5-amine
CID 66164096
4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline
CID 107621334
N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide
CID 66163750

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline (CID 66162533) is N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline is CN(C)Cc1ccc(NCc2cncn2C2CC2)cc1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline?
The InChIKey is PIPSNUMDCACJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19(2)11-13-3-5-14(6-4-13)18-10-16-9-17-12-20(16)15-7-8-15/h3-6,9,12,15,18H,7-8,10-11H2,1-2H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline?
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline has a molecular weight of 270.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 66162533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).