ethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine

C10H21N3 — CID 156744222

IUPACethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine
SMILESCC.N/C=C\C=N\C1CCCNC1
InChIInChI=1S/C8H15N3.C2H6/c9-4-2-6-11-8-3-1-5-10-7-8;1-2/h2,4,6,8,10H,1,3,5,7,9H2;1-2H3/b4-2-,11-6+;
InChIKeyUJTWIHGKZQLAPT-LFRSFMLNSA-N
MW183.30 g/mol
LogP1.31
Rot. Bonds2

About ethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine

ethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine (PubChem CID 156744222) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is ethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine
PubChem CID156744222
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Nameethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine
SMILESCC.N/C=C\C=N\C1CCCNC1
InChIInChI=1S/C8H15N3.C2H6/c9-4-2-6-11-8-3-1-5-10-7-8;1-2/h2,4,6,8,10H,1,3,5,7,9H2;1-2H3/b4-2-,11-6+;
InChIKeyUJTWIHGKZQLAPT-LFRSFMLNSA-N
XLogP1.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.31
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

(2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
CID 59529658
(2S,12S,15Z)-2,12-dimethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
CID 59529660
1,2-Dihydropyrimidine;piperidine
CID 69489554
N-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine
CID 91043740
ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 143163852
(E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine
CID 143645213
(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 143782130
N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]piperidin-3-amine
CID 143994348
N-methylprop-2-en-1-imine;1-[(E)-prop-1-enyl]piperazine
CID 144194951
(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
3-(1-Methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 153153367

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine?
The IUPAC name of ethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine (CID 156744222) is ethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine?
The canonical SMILES for ethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine is CC.N/C=C\C=N\C1CCCNC1.
What is the InChIKey of ethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine?
The InChIKey is UJTWIHGKZQLAPT-LFRSFMLNSA-N. The full InChI is InChI=1S/C8H15N3.C2H6/c9-4-2-6-11-8-3-1-5-10-7-8;1-2/h2,4,6,8,10H,1,3,5,7,9H2;1-2H3/b4-2-,11-6+;.
What are the key properties of ethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine?
ethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine has a molecular weight of 183.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-piperidin-3-yliminoprop-1-en-1-amine is sourced from PubChem (CID 156744222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).