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

C14H25N3 — CID 145198033

IUPAC2-[(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
InChIInChI=1S/C14H25N3/c1-6-13-11-17(10-9-16(4)5)8-7-14(13)15-12(2)3/h6H,2,7-11H2,1,3-5H3/b13-6-,15-14+
InChIKeyDAIZECYVXSDLDO-IAWNYDFXSA-N
MW235.37 g/mol
LogP2.17
Rot. Bonds4

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

2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine (PubChem CID 145198033) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine
PubChem CID145198033
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-[(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
InChIInChI=1S/C14H25N3/c1-6-13-11-17(10-9-16(4)5)8-7-14(13)15-12(2)3/h6H,2,7-11H2,1,3-5H3/b13-6-,15-14+
InChIKeyDAIZECYVXSDLDO-IAWNYDFXSA-N
XLogP2.17
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.17
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

5-Propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 57530991
5-Methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 90326755
1-(6-But-1-en-2-yl-2,3-dihydropyridin-5-yl)piperazine
CID 117852720
(3Z)-N,1-dimethyl-3-prop-2-enylidenepiperidin-4-imine
CID 123418614
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
7-Methyl-2,3,4,6,8,9-hexahydropyrido[4,3-b]azepine
CID 141946412
6-methyl-3,5,7,8-tetrahydro-2H-1,6-naphthyridine
CID 142162032
(4Z)-N-ethenyl-4-ethylidene-1-methylpiperidin-3-imine;methane
CID 142162049

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine (CID 145198033) is 2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 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.
What is the InChIKey of 2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine?
The InChIKey is DAIZECYVXSDLDO-IAWNYDFXSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-13-11-17(10-9-16(4)5)8-7-14(13)15-12(2)3/h6H,2,7-11H2,1,3-5H3/b13-6-,15-14+.
What are the key properties of 2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine?
2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 145198033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).