(3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane

C11H20N2 — CID 145197782

IUPAC(3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane
SMILESCC.[H]/N=C1\CCNC\C1=C\C=C\C
InChIInChI=1S/C9H14N2.C2H6/c1-2-3-4-8-7-11-6-5-9(8)10;1-2/h2-4,10-11H,5-7H2,1H3;1-2H3/b3-2+,8-4-,10-9+;
InChIKeyIEQCOYOPDPIMEO-PYNVYRKWSA-N
MW180.29 g/mol
LogP2.53
Rot. Bonds1

About (3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane

(3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane (PubChem CID 145197782) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane.

Molecular Properties

Compound Name(3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane
PubChem CID145197782
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane
SMILESCC.[H]/N=C1\CCNC\C1=C\C=C\C
InChIInChI=1S/C9H14N2.C2H6/c1-2-3-4-8-7-11-6-5-9(8)10;1-2/h2-4,10-11H,5-7H2,1H3;1-2H3/b3-2+,8-4-,10-9+;
InChIKeyIEQCOYOPDPIMEO-PYNVYRKWSA-N
XLogP2.53
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydro-1h-pyrido[4,3-b]indole
CID 56981217
(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine
CID 163607220
Hexahydroazonino[5,6-b]indole
CID 129799442
2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole
CID 15887273
2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole
CID 22018480
N-[(3-diazocyclohexa-1,5-dien-1-yl)methyl]propan-1-amine
CID 54216626
N-[(4-diazocyclohexa-1,5-dien-1-yl)methyl]propan-1-amine
CID 54402766
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole
CID 68519754
2-piperidin-4-yl-2H-indole
CID 69374500
1-N'-(cyclohexa-1,5-dien-1-ylmethyl)-3-iminobutane-1,1-diamine
CID 88218305

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane?
The IUPAC name of (3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane (CID 145197782) is (3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane.
What is the SMILES notation for (3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane?
The canonical SMILES for (3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane is CC.[H]/N=C1\CCNC\C1=C\C=C\C.
What is the InChIKey of (3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane?
The InChIKey is IEQCOYOPDPIMEO-PYNVYRKWSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-2-3-4-8-7-11-6-5-9(8)10;1-2/h2-4,10-11H,5-7H2,1H3;1-2H3/b3-2+,8-4-,10-9+;.
What are the key properties of (3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane?
(3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane has a molecular weight of 180.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane is sourced from PubChem (CID 145197782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).