(Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine

C10H19N3 — CID 143506326

IUPAC(Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)C1CCN(CC)CC1
InChIInChI=1S/C10H19N3/c1-2-13-7-4-9(5-8-13)10(12)3-6-11/h3,6,9,11H,2,4-5,7-8,12H2,1H3/b10-3-,11-6+
InChIKeyXDTGRCLUNAYQQJ-KAGHAQNVSA-N
MW181.28 g/mol
LogP1.21
Rot. Bonds3

About (Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine

(Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine (PubChem CID 143506326) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine
PubChem CID143506326
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)C1CCN(CC)CC1
InChIInChI=1S/C10H19N3/c1-2-13-7-4-9(5-8-13)10(12)3-6-11/h3,6,9,11H,2,4-5,7-8,12H2,1H3/b10-3-,11-6+
InChIKeyXDTGRCLUNAYQQJ-KAGHAQNVSA-N
XLogP1.21
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-4-piperidino-2,3-dihydropyridin
CID 137530180
4-(3H-pyrrol-5-ylmethyl)piperidine
CID 54520917
1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
CID 130217430
(E)-3-(2,6-dimethylidenepiperidin-3-yl)prop-2-en-1-imine
CID 132135316
(Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine
CID 135161909
(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide
CID 140972577
1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine
CID 142001405
(Z)-3-imino-1-piperidin-4-ylprop-1-en-1-amine
CID 142802804
6-Piperidin-4-yl-3,4-dihydropyridine
CID 142892723
ethane;2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine
CID 143255842
ethane;N-[(1Z)-1-piperidin-4-ylbuta-1,3-dienyl]ethanimine
CID 144011738
(E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene
CID 144740178

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine (CID 143506326) is (Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine is [H]/N=C/C=C(\N)C1CCN(CC)CC1.
What is the InChIKey of (Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine?
The InChIKey is XDTGRCLUNAYQQJ-KAGHAQNVSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-13-7-4-9(5-8-13)10(12)3-6-11/h3,6,9,11H,2,4-5,7-8,12H2,1H3/b10-3-,11-6+.
What are the key properties of (Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine?
(Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 143506326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).