N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine

C13H24N2 — CID 142358683

IUPACN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine
SMILESCC/C(=N\C1=C(C)CN(C)CC1)C(C)C
InChIInChI=1S/C13H24N2/c1-6-12(10(2)3)14-13-7-8-15(5)9-11(13)4/h10H,6-9H2,1-5H3/b14-12+
InChIKeyJGHKGEDBBVTBLQ-WYMLVPIESA-N
MW208.35 g/mol
LogP3.10
Rot. Bonds3

About N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine

N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine (PubChem CID 142358683) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine.

Molecular Properties

Compound NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine
PubChem CID142358683
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine
SMILESCC/C(=N\C1=C(C)CN(C)CC1)C(C)C
InChIInChI=1S/C13H24N2/c1-6-12(10(2)3)14-13-7-8-15(5)9-11(13)4/h10H,6-9H2,1-5H3/b14-12+
InChIKeyJGHKGEDBBVTBLQ-WYMLVPIESA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine?
The IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine (CID 142358683) is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine.
What is the SMILES notation for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine?
The canonical SMILES for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine is CC/C(=N\C1=C(C)CN(C)CC1)C(C)C.
What is the InChIKey of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine?
The InChIKey is JGHKGEDBBVTBLQ-WYMLVPIESA-N. The full InChI is InChI=1S/C13H24N2/c1-6-12(10(2)3)14-13-7-8-15(5)9-11(13)4/h10H,6-9H2,1-5H3/b14-12+.
What are the key properties of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine?
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine has a molecular weight of 208.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine is sourced from PubChem (CID 142358683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).