5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine

C13H19N5 — CID 80635374

IUPAC5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
SMILESCc1cc(CN)cnc1N(C)Cc1nccn1C
InChIInChI=1S/C13H19N5/c1-10-6-11(7-14)8-16-13(10)18(3)9-12-15-4-5-17(12)2/h4-6,8H,7,9,14H2,1-3H3
InChIKeyYBQREDNFJWZBID-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.22
Rot. Bonds4

About 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine

5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine (PubChem CID 80635374) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
PubChem CID80635374
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
SMILESCc1cc(CN)cnc1N(C)Cc1nccn1C
InChIInChI=1S/C13H19N5/c1-10-6-11(7-14)8-16-13(10)18(3)9-12-15-4-5-17(12)2/h4-6,8H,7,9,14H2,1-3H3
InChIKeyYBQREDNFJWZBID-UHFFFAOYSA-N
XLogP1.22
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine (CID 80635374) is 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine is Cc1cc(CN)cnc1N(C)Cc1nccn1C.
What is the InChIKey of 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The InChIKey is YBQREDNFJWZBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-6-11(7-14)8-16-13(10)18(3)9-12-15-4-5-17(12)2/h4-6,8H,7,9,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 80635374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).