N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine

C16H24N4 — CID 106907444

IUPACN-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1ncn(Cc2cccc(CNCC(C)C)n2)c1C
InChIInChI=1S/C16H24N4/c1-12(2)8-17-9-15-6-5-7-16(19-15)10-20-11-18-13(3)14(20)4/h5-7,11-12,17H,8-10H2,1-4H3
InChIKeyIVRFVFAOPPSMEB-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.69
Rot. Bonds6

About N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 106907444) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID106907444
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1ncn(Cc2cccc(CNCC(C)C)n2)c1C
InChIInChI=1S/C16H24N4/c1-12(2)8-17-9-15-6-5-7-16(19-15)10-20-11-18-13(3)14(20)4/h5-7,11-12,17H,8-10H2,1-4H3
InChIKeyIVRFVFAOPPSMEB-UHFFFAOYSA-N
XLogP2.69
TPSA42.74 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106907332
N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557823
N-[[3-[(4,5-dimethylimidazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62442166
2-methyl-N-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905480
N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62441592
N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106906698
2-methyl-N-[[6-(1,4-thiazepan-4-ylmethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106905365
N-[[6-[(3,3-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106906337
2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine
CID 106597726
2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907151
N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106907426
1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole
CID 115641222

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 106907444) is N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1ncn(Cc2cccc(CNCC(C)C)n2)c1C.
What is the InChIKey of N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is IVRFVFAOPPSMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12(2)8-17-9-15-6-5-7-16(19-15)10-20-11-18-13(3)14(20)4/h5-7,11-12,17H,8-10H2,1-4H3.
What are the key properties of N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106907444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).