N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine

C15H27N3 — CID 145197854

IUPACN,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine
SMILESC=C1CN(CCN(C)C)CC/C1=N\C(C)=CCC
InChIInChI=1S/C15H27N3/c1-6-7-14(3)16-15-8-9-18(12-13(15)2)11-10-17(4)5/h7H,2,6,8-12H2,1,3-5H3/b14-7?,16-15+
InChIKeyYDCYYEXEEOVHGD-VPIFSXQUSA-N
MW249.40 g/mol
LogP2.56
Rot. Bonds5

About N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine

N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine (PubChem CID 145197854) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine
PubChem CID145197854
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine
SMILESC=C1CN(CCN(C)C)CC/C1=N\C(C)=CCC
InChIInChI=1S/C15H27N3/c1-6-7-14(3)16-15-8-9-18(12-13(15)2)11-10-17(4)5/h7H,2,6,8-12H2,1,3-5H3/b14-7?,16-15+
InChIKeyYDCYYEXEEOVHGD-VPIFSXQUSA-N
XLogP2.56
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.56
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 N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine (CID 145197854) is N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine is C=C1CN(CCN(C)C)CC/C1=N\C(C)=CCC.
What is the InChIKey of N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine?
The InChIKey is YDCYYEXEEOVHGD-VPIFSXQUSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-7-14(3)16-15-8-9-18(12-13(15)2)11-10-17(4)5/h7H,2,6,8-12H2,1,3-5H3/b14-7?,16-15+.
What are the key properties of N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine?
N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine has a molecular weight of 249.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine is sourced from PubChem (CID 145197854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).