(Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine

C13H25N3 — CID 174081802

IUPAC(Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine
SMILESC/C=C(\N=C(C)C1CCN(C)CC1)NCC
InChIInChI=1S/C13H25N3/c1-5-13(14-6-2)15-11(3)12-7-9-16(4)10-8-12/h5,12,14H,6-10H2,1-4H3/b13-5-,15-11?
InChIKeyKUQLTYPKAGGHPF-JBIGJNIKSA-N
MW223.36 g/mol
LogP2.26
Rot. Bonds4

About (Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine

(Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine (PubChem CID 174081802) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is (Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine
PubChem CID174081802
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name(Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine
SMILESC/C=C(\N=C(C)C1CCN(C)CC1)NCC
InChIInChI=1S/C13H25N3/c1-5-13(14-6-2)15-11(3)12-7-9-16(4)10-8-12/h5,12,14H,6-10H2,1-4H3/b13-5-,15-11?
InChIKeyKUQLTYPKAGGHPF-JBIGJNIKSA-N
XLogP2.26
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-amino-N-ethyl-3-(1-methylpiperidin-4-yl)prop-2-enamide
CID 166483095
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 142926355
1-ethyl-2-(2-ethylbutyl)-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111891554
N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 70915121
(E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine
CID 107898886
1-ethyl-2-(2-ethylbutyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111890786
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
methyl 1-[N-ethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111255054
N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide
CID 63173412
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
CID 59870766

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine?
The IUPAC name of (Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine (CID 174081802) is (Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine is C/C=C(\N=C(C)C1CCN(C)CC1)NCC.
What is the InChIKey of (Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine?
The InChIKey is KUQLTYPKAGGHPF-JBIGJNIKSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-13(14-6-2)15-11(3)12-7-9-16(4)10-8-12/h5,12,14H,6-10H2,1-4H3/b13-5-,15-11?.
What are the key properties of (Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine?
(Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-1-[1-(1-methylpiperidin-4-yl)ethylideneamino]prop-1-en-1-amine is sourced from PubChem (CID 174081802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).