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

C12H22N2 — CID 145116847

IUPACN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine
SMILESCCC(C)/C=N/C1=C(C)CN(C)CC1
InChIInChI=1S/C12H22N2/c1-5-10(2)8-13-12-6-7-14(4)9-11(12)3/h8,10H,5-7,9H2,1-4H3/b13-8+
InChIKeyBACCNNCUWCQLGX-MDWZMJQESA-N
MW194.32 g/mol
LogP2.71
Rot. Bonds3

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

N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine (PubChem CID 145116847) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine.

Molecular Properties

Compound NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine
PubChem CID145116847
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine
SMILESCCC(C)/C=N/C1=C(C)CN(C)CC1
InChIInChI=1S/C12H22N2/c1-5-10(2)8-13-12-6-7-14(4)9-11(12)3/h8,10H,5-7,9H2,1-4H3/b13-8+
InChIKeyBACCNNCUWCQLGX-MDWZMJQESA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.71
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

5-Methyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 58223136
2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine
CID 58229508
5-Propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 58315252
3,4-Dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium
CID 59357084
N,N,5,6-tetramethyl-3,4-dihydropyridin-4-amine
CID 123171611
Ethylidene-methyl-[2-(1,1,3-trimethylazirin-1-ium-2-yl)propyl]azanium
CID 123494882
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
N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine
CID 170093422
butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane
CID 170634492

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine?
The IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine (CID 145116847) is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine.
What is the SMILES notation for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine?
The canonical SMILES for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine is CCC(C)/C=N/C1=C(C)CN(C)CC1.
What is the InChIKey of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine?
The InChIKey is BACCNNCUWCQLGX-MDWZMJQESA-N. The full InChI is InChI=1S/C12H22N2/c1-5-10(2)8-13-12-6-7-14(4)9-11(12)3/h8,10H,5-7,9H2,1-4H3/b13-8+.
What are the key properties of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine?
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine has a molecular weight of 194.32 g/mol, XLogP of 2.71, 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-methylbutan-1-imine is sourced from PubChem (CID 145116847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).