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

C12H22N2 — CID 145046783

IUPACN-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine
SMILESCC(C)=NC1=C(C)CCN(C(C)C)C1
InChIInChI=1S/C12H22N2/c1-9(2)13-12-8-14(10(3)4)7-6-11(12)5/h10H,6-8H2,1-5H3
InChIKeyNKOZECLQWULAHS-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.86
Rot. Bonds2

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

N-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine (PubChem CID 145046783) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine.

Molecular Properties

Compound NameN-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine
PubChem CID145046783
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine
SMILESCC(C)=NC1=C(C)CCN(C(C)C)C1
InChIInChI=1S/C12H22N2/c1-9(2)13-12-8-14(10(3)4)7-6-11(12)5/h10H,6-8H2,1-5H3
InChIKeyNKOZECLQWULAHS-UHFFFAOYSA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 131997933
N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine
CID 142358629
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-imine
CID 145046784
N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine
CID 163465018
N-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine
CID 166945040
butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
CID 170635801
N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
CID 170635802
N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
CID 174255875

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine?
The IUPAC name of N-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine (CID 145046783) is N-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine.
What is the SMILES notation for N-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine?
The canonical SMILES for N-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine is CC(C)=NC1=C(C)CCN(C(C)C)C1.
What is the InChIKey of N-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine?
The InChIKey is NKOZECLQWULAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)13-12-8-14(10(3)4)7-6-11(12)5/h10H,6-8H2,1-5H3.
What are the key properties of N-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine?
N-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine has a molecular weight of 194.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine is sourced from PubChem (CID 145046783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).