ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine

C16H31N3 — CID 145198032

IUPACethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine
SMILESC=C(C)/N=C1\CCN(CCN(C)C)C\C1=C\C.CC
InChIInChI=1S/C14H25N3.C2H6/c1-6-13-11-17(10-9-16(4)5)8-7-14(13)15-12(2)3;1-2/h6H,2,7-11H2,1,3-5H3;1-2H3/b13-6-,15-14+;
InChIKeyFPHGRIJYSAZVGE-PNDDVHAESA-N
MW265.44 g/mol
LogP3.20
Rot. Bonds4

About ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine

ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine (PubChem CID 145198032) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Nameethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine
PubChem CID145198032
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Nameethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine
SMILESC=C(C)/N=C1\CCN(CCN(C)C)C\C1=C\C.CC
InChIInChI=1S/C14H25N3.C2H6/c1-6-13-11-17(10-9-16(4)5)8-7-14(13)15-12(2)3;1-2/h6H,2,7-11H2,1,3-5H3;1-2H3/b13-6-,15-14+;
InChIKeyFPHGRIJYSAZVGE-PNDDVHAESA-N
XLogP3.20
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-But-1-en-2-yl-2,3-dihydropyridin-5-yl)piperazine
CID 117852720
3-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123946826
1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine
CID 129029428
1-[2-[(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-2-pyridinyl]ethyl]-4-(5-methylcyclohepta-1,3,6-trien-1-yl)piperazine
CID 130462165
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
3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine
CID 139420053
7-Methyl-2,3,4,6,8,9-hexahydropyrido[4,3-b]azepine
CID 141946412
(2E,5E,7E,9Z)-N-ethenyl-6,7-diethyl-3-methyl-2-piperidin-1-yldodeca-2,5,7,9,11-pentaen-4-imine;methane
CID 141961098
1-[(Z)-but-2-en-2-yl]piperidine;(E)-4-cyclohepta-1,6-dien-1-yl-3-ethyl-N-prop-1-en-2-ylhex-3-en-2-imine;ethane;hydrochloride
CID 141961249
(4Z)-N-ethenyl-4-ethylidene-1-methylpiperidin-3-imine;methane
CID 142162049
ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine
CID 142390176

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine (CID 145198032) is ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine is C=C(C)/N=C1\CCN(CCN(C)C)C\C1=C\C.CC.
What is the InChIKey of ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine?
The InChIKey is FPHGRIJYSAZVGE-PNDDVHAESA-N. The full InChI is InChI=1S/C14H25N3.C2H6/c1-6-13-11-17(10-9-16(4)5)8-7-14(13)15-12(2)3;1-2/h6H,2,7-11H2,1,3-5H3;1-2H3/b13-6-,15-14+;.
What are the key properties of ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine?
ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine has a molecular weight of 265.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 145198032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).