2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline

C15H22N4 — CID 82558780

IUPAC2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline
SMILESCN(C)CCCn1ccnc1Cc1ccccc1N
InChIInChI=1S/C15H22N4/c1-18(2)9-5-10-19-11-8-17-15(19)12-13-6-3-4-7-14(13)16/h3-4,6-8,11H,5,9-10,12,16H2,1-2H3
InChIKeyOOGAMAMQOAZBCV-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.01
Rot. Bonds6

About 2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline

2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline (PubChem CID 82558780) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline
PubChem CID82558780
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline
SMILESCN(C)CCCn1ccnc1Cc1ccccc1N
InChIInChI=1S/C15H22N4/c1-18(2)9-5-10-19-11-8-17-15(19)12-13-6-3-4-7-14(13)16/h3-4,6-8,11H,5,9-10,12,16H2,1-2H3
InChIKeyOOGAMAMQOAZBCV-UHFFFAOYSA-N
XLogP2.01
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-aminophenyl)methyl]imidazol-1-yl]acetic acid
CID 82558769
3-[2-[2-(dimethylamino)ethyl]imidazol-1-yl]propan-1-amine
CID 82557807
N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine
CID 94685401
2-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]aniline
CID 82558825
3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine
CID 82558131
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557938
2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline
CID 82557902
2-[(1-cyclopentylimidazol-2-yl)methyl]aniline
CID 82558770
4-[(1-butylimidazol-2-yl)methyl]aniline
CID 70226116
1-[3-(dimethylamino)propyl]indol-3-amine
CID 70997307
2-[2-[2-(dimethylamino)ethyl]imidazol-1-yl]ethanol
CID 82559905
3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 120613454

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline?
The IUPAC name of 2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline (CID 82558780) is 2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline.
What is the SMILES notation for 2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline?
The canonical SMILES for 2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline is CN(C)CCCn1ccnc1Cc1ccccc1N.
What is the InChIKey of 2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline?
The InChIKey is OOGAMAMQOAZBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18(2)9-5-10-19-11-8-17-15(19)12-13-6-3-4-7-14(13)16/h3-4,6-8,11H,5,9-10,12,16H2,1-2H3.
What are the key properties of 2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline?
2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline has a molecular weight of 258.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 82558780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).