1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane

C12H24N2 — CID 142050102

IUPAC1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane
SMILESCC.CC/N=C/C1=C(C)CCN(C)C1
InChIInChI=1S/C10H18N2.C2H6/c1-4-11-7-10-8-12(3)6-5-9(10)2;1-2/h7H,4-6,8H2,1-3H3;1-2H3/b11-7+;
InChIKeyHQQPPZBMCCOAGC-RVDQCCQOSA-N
MW196.34 g/mol
LogP2.76
Rot. Bonds2

About 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane

1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane (PubChem CID 142050102) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane.

Molecular Properties

Compound Name1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane
PubChem CID142050102
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane
SMILESCC.CC/N=C/C1=C(C)CCN(C)C1
InChIInChI=1S/C10H18N2.C2H6/c1-4-11-7-10-8-12(3)6-5-9(10)2;1-2/h7H,4-6,8H2,1-3H3;1-2H3/b11-7+;
InChIKeyHQQPPZBMCCOAGC-RVDQCCQOSA-N
XLogP2.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.76
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-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 59559172
1-(2,3-dihydropyridin-5-yl)-N,N-dimethylmethanamine
CID 68216038
1,4-Dimethyl-5-(3-methylbut-2-en-2-yl)-2,3-dihydropyridin-1-ium
CID 123607223
2-methyl-3,4,7,8-tetrahydro-1H-2,6-naphthyridine
CID 134312808
[(Z)-2,3-dimethylpent-2-enyl]-methyl-methylideneazanium
CID 136020553
1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine
CID 139458500
(Z)-N,N,3-trimethyl-2-(methyliminomethyl)pent-2-en-1-amine
CID 142050923
2-(2,3-dihydropyridin-5-yl)-N,N-dimethylethanamine
CID 142206786
ethane;N-ethyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 142338403
ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
CID 142338627
ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 142384168
1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine
CID 144797699

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane?
The IUPAC name of 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane (CID 142050102) is 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane.
What is the SMILES notation for 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane?
The canonical SMILES for 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane is CC.CC/N=C/C1=C(C)CCN(C)C1.
What is the InChIKey of 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane?
The InChIKey is HQQPPZBMCCOAGC-RVDQCCQOSA-N. The full InChI is InChI=1S/C10H18N2.C2H6/c1-4-11-7-10-8-12(3)6-5-9(10)2;1-2/h7H,4-6,8H2,1-3H3;1-2H3/b11-7+;.
What are the key properties of 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane?
1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane has a molecular weight of 196.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane is sourced from PubChem (CID 142050102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).