N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine

C15H22N4 — CID 106907434

IUPACN-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCCc1nccn1Cc1cccc(CNC(C)C)n1
InChIInChI=1S/C15H22N4/c1-4-15-16-8-9-19(15)11-14-7-5-6-13(18-14)10-17-12(2)3/h5-9,12,17H,4,10-11H2,1-3H3
InChIKeyPUQQAPSYVHQXKU-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.39
Rot. Bonds6

About N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine

N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 106907434) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
PubChem CID106907434
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCCc1nccn1Cc1cccc(CNC(C)C)n1
InChIInChI=1S/C15H22N4/c1-4-15-16-8-9-19(15)11-14-7-5-6-13(18-14)10-17-12(2)3/h5-9,12,17H,4,10-11H2,1-3H3
InChIKeyPUQQAPSYVHQXKU-UHFFFAOYSA-N
XLogP2.39
TPSA42.74 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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(2-propylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907451
N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106907352
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402190
N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906831
N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 63984535
N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221280
2-[2-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenyl]acetic acid
CID 115463174
N-[[6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine
CID 63025668
N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine
CID 62565130
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
CID 79738337
N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62442763

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine (CID 106907434) is N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine is CCc1nccn1Cc1cccc(CNC(C)C)n1.
What is the InChIKey of N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is PUQQAPSYVHQXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-15-16-8-9-19(15)11-14-7-5-6-13(18-14)10-17-12(2)3/h5-9,12,17H,4,10-11H2,1-3H3.
What are the key properties of N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106907434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).