N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine

C12H24N4 — CID 66146061

IUPACN-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncn1CCN(C)C
InChIInChI=1S/C12H24N4/c1-11(2)7-13-8-12-9-14-10-16(12)6-5-15(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyVYMRBKYISLRANE-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.19
Rot. Bonds7

About N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66146061) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID66146061
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncn1CCN(C)C
InChIInChI=1S/C12H24N4/c1-11(2)7-13-8-12-9-14-10-16(12)6-5-15(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyVYMRBKYISLRANE-UHFFFAOYSA-N
XLogP1.19
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propan-2-ylbutan-1-amine
CID 66150962
2-methyl-N-[[3-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66145702
N-[[3-(2,3-dimethylbutyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149137
2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine
CID 106009311
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147974
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147520
N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide
CID 66149485
2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66149320
2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 79238144
2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 114129923
3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
CID 106040180
N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107165435

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine (CID 66146061) is N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cncn1CCN(C)C.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is VYMRBKYISLRANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-11(2)7-13-8-12-9-14-10-16(12)6-5-15(3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66146061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).