3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine

C14H18ClN3 — CID 63865536

IUPAC3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine
SMILESCC1CC1CN(C)c1nc2ccccn2c1CCl
InChIInChI=1S/C14H18ClN3/c1-10-7-11(10)9-17(2)14-12(8-15)18-6-4-3-5-13(18)16-14/h3-6,10-11H,7-9H2,1-2H3
InChIKeyVWWMBEVAZGADTQ-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.17
Rot. Bonds4

About 3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine

3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine (PubChem CID 63865536) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine
PubChem CID63865536
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine
SMILESCC1CC1CN(C)c1nc2ccccn2c1CCl
InChIInChI=1S/C14H18ClN3/c1-10-7-11(10)9-17(2)14-12(8-15)18-6-4-3-5-13(18)16-14/h3-6,10-11H,7-9H2,1-2H3
InChIKeyVWWMBEVAZGADTQ-UHFFFAOYSA-N
XLogP3.17
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine (CID 63865536) is 3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine is CC1CC1CN(C)c1nc2ccccn2c1CCl.
What is the InChIKey of 3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine?
The InChIKey is VWWMBEVAZGADTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10-7-11(10)9-17(2)14-12(8-15)18-6-4-3-5-13(18)16-14/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine?
3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 63865536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).