N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine

C14H18N4 — CID 106719982

IUPACN-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1cncc(Cn2cnc(CNC3CC3)c2)c1
InChIInChI=1S/C14H18N4/c1-11-4-12(6-15-5-11)8-18-9-14(17-10-18)7-16-13-2-3-13/h4-6,9-10,13,16H,2-3,7-8H2,1H3
InChIKeyNRZHPMBRMQQXEO-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.89
Rot. Bonds5

About N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 106719982) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID106719982
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1cncc(Cn2cnc(CNC3CC3)c2)c1
InChIInChI=1S/C14H18N4/c1-11-4-12(6-15-5-11)8-18-9-14(17-10-18)7-16-13-2-3-13/h4-6,9-10,13,16H,2-3,7-8H2,1H3
InChIKeyNRZHPMBRMQQXEO-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-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine (CID 106719982) is N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine is Cc1cncc(Cn2cnc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is NRZHPMBRMQQXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-4-12(6-15-5-11)8-18-9-14(17-10-18)7-16-13-2-3-13/h4-6,9-10,13,16H,2-3,7-8H2,1H3.
What are the key properties of N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(5-methyl-3-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-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106719982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).