3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine

C23H36N4 — CID 137247902

IUPAC3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine
SMILESCC1=C(CC(C)CCC2CC2)N(C)CC(C/N=C/C2=C(C)NC=CC2N)=C1
InChIInChI=1S/C23H36N4/c1-16(5-6-19-7-8-19)11-23-17(2)12-20(15-27(23)4)13-25-14-21-18(3)26-10-9-22(21)24/h9-10,12,14,16,19,22,26H,5-8,11,13,15,24H2,1-4H3/b25-14+
InChIKeyCIBYIKZVFSOQGY-AFUMVMLFSA-N
MW368.57 g/mol
LogP4.14
Rot. Bonds8

About 3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine

3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine (PubChem CID 137247902) has the molecular formula C23H36N4 and a molecular weight of 368.57 g/mol. Its IUPAC name is 3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine.

Molecular Properties

Compound Name3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine
PubChem CID137247902
Molecular FormulaC23H36N4
Molecular Weight368.57 g/mol
Exact Mass368.29
IUPAC Name3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine
SMILESCC1=C(CC(C)CCC2CC2)N(C)CC(C/N=C/C2=C(C)NC=CC2N)=C1
InChIInChI=1S/C23H36N4/c1-16(5-6-19-7-8-19)11-23-17(2)12-20(15-27(23)4)13-25-14-21-18(3)26-10-9-22(21)24/h9-10,12,14,16,19,22,26H,5-8,11,13,15,24H2,1-4H3/b25-14+
InChIKeyCIBYIKZVFSOQGY-AFUMVMLFSA-N
XLogP4.14
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.14
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-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine?
The IUPAC name of 3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine (CID 137247902) is 3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine.
What is the SMILES notation for 3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine?
The canonical SMILES for 3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine is CC1=C(CC(C)CCC2CC2)N(C)CC(C/N=C/C2=C(C)NC=CC2N)=C1.
What is the InChIKey of 3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine?
The InChIKey is CIBYIKZVFSOQGY-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H36N4/c1-16(5-6-19-7-8-19)11-23-17(2)12-20(15-27(23)4)13-25-14-21-18(3)26-10-9-22(21)24/h9-10,12,14,16,19,22,26H,5-8,11,13,15,24H2,1-4H3/b25-14+.
What are the key properties of 3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine?
3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine has a molecular weight of 368.57 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-cyclopropyl-2-methylbutyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-2-methyl-1,4-dihydropyridin-4-amine is sourced from PubChem (CID 137247902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).