3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine

C9H15N3 — CID 155323909

IUPAC3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine
SMILES[H]/N=C/CC(N)C1C=CC=CN1C
InChIInChI=1S/C9H15N3/c1-12-7-3-2-4-9(12)8(11)5-6-10/h2-4,6-10H,5,11H2,1H3/b10-6+
InChIKeyBGZNWRYLAZVMDL-UXBLZVDNSA-N
MW165.24 g/mol
LogP0.74
Rot. Bonds3

About 3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine

3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine (PubChem CID 155323909) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine
PubChem CID155323909
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine
SMILES[H]/N=C/CC(N)C1C=CC=CN1C
InChIInChI=1S/C9H15N3/c1-12-7-3-2-4-9(12)8(11)5-6-10/h2-4,6-10H,5,11H2,1H3/b10-6+
InChIKeyBGZNWRYLAZVMDL-UXBLZVDNSA-N
XLogP0.74
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine?
The IUPAC name of 3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine (CID 155323909) is 3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine.
What is the SMILES notation for 3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine?
The canonical SMILES for 3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine is [H]/N=C/CC(N)C1C=CC=CN1C.
What is the InChIKey of 3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine?
The InChIKey is BGZNWRYLAZVMDL-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-7-3-2-4-9(12)8(11)5-6-10/h2-4,6-10H,5,11H2,1H3/b10-6+.
What are the key properties of 3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine?
3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-1-(1-methyl-2H-pyridin-2-yl)propan-1-amine is sourced from PubChem (CID 155323909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).