N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine

C14H18N4 — CID 66150969

IUPACN-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1cccc(Cn2cncc2CNC2CC2)n1
InChIInChI=1S/C14H18N4/c1-11-3-2-4-13(17-11)9-18-10-15-7-14(18)8-16-12-5-6-12/h2-4,7,10,12,16H,5-6,8-9H2,1H3
InChIKeyIVWKIYXSGUMHAQ-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.89
Rot. Bonds5

About N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 66150969) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID66150969
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1cccc(Cn2cncc2CNC2CC2)n1
InChIInChI=1S/C14H18N4/c1-11-3-2-4-13(17-11)9-18-10-15-7-14(18)8-16-12-5-6-12/h2-4,7,10,12,16H,5-6,8-9H2,1H3
InChIKeyIVWKIYXSGUMHAQ-UHFFFAOYSA-N
XLogP1.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine (CID 66150969) is N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine is Cc1cccc(Cn2cncc2CNC2CC2)n1.
What is the InChIKey of N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is IVWKIYXSGUMHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-3-2-4-13(17-11)9-18-10-15-7-14(18)8-16-12-5-6-12/h2-4,7,10,12,16H,5-6,8-9H2,1H3.
What are the key properties of N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 242.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66150969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).