1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine

C12H20N2 — CID 156713260

IUPAC1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine
SMILESC=C(C)/N=C(\C)C1=C(C)CN(C)CC1
InChIInChI=1S/C12H20N2/c1-9(2)13-11(4)12-6-7-14(5)8-10(12)3/h1,6-8H2,2-5H3/b13-11+
InChIKeyBYGYZECTXLVPOK-ACCUITESSA-N
MW192.31 g/mol
LogP2.63
Rot. Bonds2

About 1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine

1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine (PubChem CID 156713260) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine.

Molecular Properties

Compound Name1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine
PubChem CID156713260
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine
SMILESC=C(C)/N=C(\C)C1=C(C)CN(C)CC1
InChIInChI=1S/C12H20N2/c1-9(2)13-11(4)12-6-7-14(5)8-10(12)3/h1,6-8H2,2-5H3/b13-11+
InChIKeyBYGYZECTXLVPOK-ACCUITESSA-N
XLogP2.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.63
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-7-propan-2-yl-1,3,4,5-tetrahydropyrido[3,4-c]azepine
CID 124009778
1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine
CID 129029428
(3E)-2-ethyl-3-ethylidene-N-methyl-N-propyl-4H-pyridin-4-amine
CID 132195135
2,7-Dimethyl-4,6,8,9-tetrahydropyrido[4,3-b]azepine
CID 134406498
1-methyl-3-methylidene-N-prop-1-en-2-ylpiperidin-4-imine
CID 134406810
1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine
CID 134406833
N-methyl-1-(5-methyl-1-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-6-yl)methanimine
CID 134424576
7-Methyl-2,3,4,6,8,9-hexahydropyrido[4,3-b]azepine
CID 141946412
(4Z)-N-ethenyl-4-ethylidene-1-methylpiperidin-3-imine;methane
CID 142162049
(3Z)-N,1-dimethyl-3-propylidenepiperidin-4-imine
CID 143453287
(3Z)-N-ethenyl-3-ethylidene-1-methylpiperidin-4-imine
CID 143453432
1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine
CID 143837613

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine?
The IUPAC name of 1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine (CID 156713260) is 1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine.
What is the SMILES notation for 1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine?
The canonical SMILES for 1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine is C=C(C)/N=C(\C)C1=C(C)CN(C)CC1.
What is the InChIKey of 1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine?
The InChIKey is BYGYZECTXLVPOK-ACCUITESSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)13-11(4)12-6-7-14(5)8-10(12)3/h1,6-8H2,2-5H3/b13-11+.
What are the key properties of 1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine?
1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine has a molecular weight of 192.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine is sourced from PubChem (CID 156713260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).