N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine

C11H20N2 — CID 174255875

IUPACN-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
SMILESC/C=N/C1=C(C)CCN(CCC)C1
InChIInChI=1S/C11H20N2/c1-4-7-13-8-6-10(3)11(9-13)12-5-2/h5H,4,6-9H2,1-3H3/b12-5+
InChIKeyUVUKXUKVQCBSRX-LFYBBSHMSA-N
MW180.29 g/mol
LogP2.47
Rot. Bonds3

About N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine

N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine (PubChem CID 174255875) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine.

Molecular Properties

Compound NameN-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
PubChem CID174255875
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
SMILESC/C=N/C1=C(C)CCN(CCC)C1
InChIInChI=1S/C11H20N2/c1-4-7-13-8-6-10(3)11(9-13)12-5-2/h5H,4,6-9H2,1-3H3/b12-5+
InChIKeyUVUKXUKVQCBSRX-LFYBBSHMSA-N
XLogP2.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.47
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-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The IUPAC name of N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine (CID 174255875) is N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine.
What is the SMILES notation for N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The canonical SMILES for N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine is C/C=N/C1=C(C)CCN(CCC)C1.
What is the InChIKey of N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The InChIKey is UVUKXUKVQCBSRX-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-7-13-8-6-10(3)11(9-13)12-5-2/h5H,4,6-9H2,1-3H3/b12-5+.
What are the key properties of N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine has a molecular weight of 180.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine is sourced from PubChem (CID 174255875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).