N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine

C11H19N3 — CID 143994348

IUPACN-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine
SMILESC=C/C=C(\N=C/C)NC1CCCNC1
InChIInChI=1S/C11H19N3/c1-3-6-11(13-4-2)14-10-7-5-8-12-9-10/h3-4,6,10,12,14H,1,5,7-9H2,2H3/b11-6+,13-4-
InChIKeyNFLLJDFDSYXTFZ-FZZJITPGSA-N
MW193.29 g/mol
LogP1.45
Rot. Bonds4

About N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine

N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine (PubChem CID 143994348) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine
PubChem CID143994348
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine
SMILESC=C/C=C(\N=C/C)NC1CCCNC1
InChIInChI=1S/C11H19N3/c1-3-6-11(13-4-2)14-10-7-5-8-12-9-10/h3-4,6,10,12,14H,1,5,7-9H2,2H3/b11-6+,13-4-
InChIKeyNFLLJDFDSYXTFZ-FZZJITPGSA-N
XLogP1.45
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
CID 142180476
(Z,Z)-N-[(2,6-dimethylpiperazin-1-yl)methyl]-N'-methylideneprop-2-ene-1,3-diimine
CID 145522237
2-(1-methylpiperidin-2-yl)-1H-pyrimidin-2-amine
CID 151210795
ethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine
CID 156744222
2-(3,5-Dimethylpiperazin-1-yl)-1-azacyclohepta-2,4,5,7-tetraene;ethane
CID 156866750
1-[(3S)-piperidin-3-yl]-2H-pyrimidine
CID 174919514
1-[(3R)-piperidin-3-yl]-2H-pyrimidine
CID 175783489
1-piperidin-3-yl-2H-pyrimidine
CID 175783550
1-(2-methylpiperidin-3-yl)-2H-pyrimidine
CID 175968268
(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
CID 142180477
(Z)-3-piperidin-3-yliminoprop-1-en-1-amine
CID 156744223
2-(3,5-Dimethylpiperazin-1-yl)-1-azacyclohepta-2,4,5,7-tetraene
CID 156866751

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine?
The IUPAC name of N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine (CID 143994348) is N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine.
What is the SMILES notation for N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine?
The canonical SMILES for N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine is C=C/C=C(\N=C/C)NC1CCCNC1.
What is the InChIKey of N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine?
The InChIKey is NFLLJDFDSYXTFZ-FZZJITPGSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-6-11(13-4-2)14-10-7-5-8-12-9-10/h3-4,6,10,12,14H,1,5,7-9H2,2H3/b11-6+,13-4-.
What are the key properties of N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine?
N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine has a molecular weight of 193.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine is sourced from PubChem (CID 143994348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).