N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine

C13H16N4 — CID 63109128

IUPACN-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
SMILESc1ccc(Cc2ncc(CNC3CC3)[nH]2)nc1
InChIInChI=1S/C13H16N4/c1-2-6-14-11(3-1)7-13-16-9-12(17-13)8-15-10-4-5-10/h1-3,6,9-10,15H,4-5,7-8H2,(H,16,17)
InChIKeyYDWSJQAGPYPVJK-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.65
Rot. Bonds5

About N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine

N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine (PubChem CID 63109128) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
PubChem CID63109128
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
SMILESc1ccc(Cc2ncc(CNC3CC3)[nH]2)nc1
InChIInChI=1S/C13H16N4/c1-2-6-14-11(3-1)7-13-16-9-12(17-13)8-15-10-4-5-10/h1-3,6,9-10,15H,4-5,7-8H2,(H,16,17)
InChIKeyYDWSJQAGPYPVJK-UHFFFAOYSA-N
XLogP1.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 63108999
N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 55178632
[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methanol
CID 63108335
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
N-[[2-[(2-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 66143136
N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109014
N-[(5-ethyl-1H-imidazol-2-yl)methyl]cyclopropanamine
CID 82239451
N-[[4-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255155
N-[[2-[(3,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109075
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434617
N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 65093739

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine (CID 63109128) is N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine is c1ccc(Cc2ncc(CNC3CC3)[nH]2)nc1.
What is the InChIKey of N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine?
The InChIKey is YDWSJQAGPYPVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-6-14-11(3-1)7-13-16-9-12(17-13)8-15-10-4-5-10/h1-3,6,9-10,15H,4-5,7-8H2,(H,16,17).
What are the key properties of N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine?
N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine has a molecular weight of 228.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63109128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).