3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine

C19H30N4 — CID 137247967

IUPAC3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine
SMILESCCCC1=C(C)C=C(C/N=C/C2=C(C)NC=CC2NC)N(C)C1
InChIInChI=1S/C19H30N4/c1-6-7-16-13-23(5)17(10-14(16)2)11-21-12-18-15(3)22-9-8-19(18)20-4/h8-10,12,19-20,22H,6-7,11,13H2,1-5H3/b21-12+
InChIKeyJBCUSIQJXXKKNI-CIAFOILYSA-N
MW314.48 g/mol
LogP2.98
Rot. Bonds6

About 3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine

3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine (PubChem CID 137247967) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine.

Molecular Properties

Compound Name3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine
PubChem CID137247967
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine
SMILESCCCC1=C(C)C=C(C/N=C/C2=C(C)NC=CC2NC)N(C)C1
InChIInChI=1S/C19H30N4/c1-6-7-16-13-23(5)17(10-14(16)2)11-21-12-18-15(3)22-9-8-19(18)20-4/h8-10,12,19-20,22H,6-7,11,13H2,1-5H3/b21-12+
InChIKeyJBCUSIQJXXKKNI-CIAFOILYSA-N
XLogP2.98
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine?
The IUPAC name of 3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine (CID 137247967) is 3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine.
What is the SMILES notation for 3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine?
The canonical SMILES for 3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine is CCCC1=C(C)C=C(C/N=C/C2=C(C)NC=CC2NC)N(C)C1.
What is the InChIKey of 3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine?
The InChIKey is JBCUSIQJXXKKNI-CIAFOILYSA-N. The full InChI is InChI=1S/C19H30N4/c1-6-7-16-13-23(5)17(10-14(16)2)11-21-12-18-15(3)22-9-8-19(18)20-4/h8-10,12,19-20,22H,6-7,11,13H2,1-5H3/b21-12+.
What are the key properties of 3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine?
3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine has a molecular weight of 314.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine is sourced from PubChem (CID 137247967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).