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

C13H26N2 — CID 142338627

IUPACethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
SMILESC/N=C/C1=C(C)CCN(C(C)C)C1.CC
InChIInChI=1S/C11H20N2.C2H6/c1-9(2)13-6-5-10(3)11(8-13)7-12-4;1-2/h7,9H,5-6,8H2,1-4H3;1-2H3/b12-7+;
InChIKeyOEEOCVQHALRFNK-RRAJOLSVSA-N
MW210.36 g/mol
LogP3.14
Rot. Bonds2

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

ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine (PubChem CID 142338627) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine.

Molecular Properties

Compound Nameethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
PubChem CID142338627
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
SMILESC/N=C/C1=C(C)CCN(C(C)C)C1.CC
InChIInChI=1S/C11H20N2.C2H6/c1-9(2)13-6-5-10(3)11(8-13)7-12-4;1-2/h7,9H,5-6,8H2,1-4H3;1-2H3/b12-7+;
InChIKeyOEEOCVQHALRFNK-RRAJOLSVSA-N
XLogP3.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.14
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-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
5-Methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 59559172
3-Methyl-5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 131997923
2-methyl-3,4,7,8-tetrahydro-1H-2,6-naphthyridine
CID 134312808
1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine
CID 139458500
1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane
CID 142050102
(Z)-N,N,3-trimethyl-2-(methyliminomethyl)pent-2-en-1-amine
CID 142050923
5,6-diethyl-1-propan-2-yl-2H-pyrimidine
CID 143925685
1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-(3-methylbut-1-en-2-yl)methanimine
CID 145587891
5-Propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 157079316
N,N-dimethyl-1-(5-methyl-2,3-dihydropyridin-4-yl)methanamine
CID 163249266

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
The IUPAC name of ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine (CID 142338627) is ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine.
What is the SMILES notation for ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
The canonical SMILES for ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine is C/N=C/C1=C(C)CCN(C(C)C)C1.CC.
What is the InChIKey of ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
The InChIKey is OEEOCVQHALRFNK-RRAJOLSVSA-N. The full InChI is InChI=1S/C11H20N2.C2H6/c1-9(2)13-6-5-10(3)11(8-13)7-12-4;1-2/h7,9H,5-6,8H2,1-4H3;1-2H3/b12-7+;.
What are the key properties of ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine has a molecular weight of 210.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine is sourced from PubChem (CID 142338627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).