N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine

C11H20N2 — CID 146550503

IUPACN-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine
SMILESCCCC(C)N1CCC=C/C1=N\C
InChIInChI=1S/C11H20N2/c1-4-7-10(2)13-9-6-5-8-11(13)12-3/h5,8,10H,4,6-7,9H2,1-3H3/b12-11+
InChIKeyDKCGHDKAIZDZJN-VAWYXSNFSA-N
MW180.30 g/mol
LogP2.47
Rot. Bonds3

About N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine

N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine (PubChem CID 146550503) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine.

Molecular Properties

Compound NameN-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine
PubChem CID146550503
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine
SMILESCCCC(C)N1CCC=C/C1=N\C
InChIInChI=1S/C11H20N2/c1-4-7-10(2)13-9-6-5-8-11(13)12-3/h5,8,10H,4,6-7,9H2,1-3H3/b12-11+
InChIKeyDKCGHDKAIZDZJN-VAWYXSNFSA-N
XLogP2.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine?
The IUPAC name of N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine (CID 146550503) is N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine.
What is the SMILES notation for N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine?
The canonical SMILES for N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine is CCCC(C)N1CCC=C/C1=N\C.
What is the InChIKey of N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine?
The InChIKey is DKCGHDKAIZDZJN-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-7-10(2)13-9-6-5-8-11(13)12-3/h5,8,10H,4,6-7,9H2,1-3H3/b12-11+.
What are the key properties of N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine?
N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine has a molecular weight of 180.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine is sourced from PubChem (CID 146550503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).