ethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine

C12H26N2 — CID 142212212

IUPACethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine
SMILESCC.CN1CCC(CC/C=C\N)CC1
InChIInChI=1S/C10H20N2.C2H6/c1-12-8-5-10(6-9-12)4-2-3-7-11;1-2/h3,7,10H,2,4-6,8-9,11H2,1H3;1-2H3/b7-3-;
InChIKeyIAPVJGPAEQKEOX-WYLUAFJRSA-N
MW198.35 g/mol
LogP2.61
Rot. Bonds3

About ethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine

ethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine (PubChem CID 142212212) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine
PubChem CID142212212
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nameethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine
SMILESCC.CN1CCC(CC/C=C\N)CC1
InChIInChI=1S/C10H20N2.C2H6/c1-12-8-5-10(6-9-12)4-2-3-7-11;1-2/h3,7,10H,2,4-6,8-9,11H2,1H3;1-2H3/b7-3-;
InChIKeyIAPVJGPAEQKEOX-WYLUAFJRSA-N
XLogP2.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-methyl-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)but-1-en-1-amine
CID 164032194
1-[(E)-4-methylpent-1-enyl]piperidine
CID 13354324
1-methyl-4-propyl-3,4-dihydro-2H-pyridine
CID 53867295
1-(4-Methylpent-1-enyl)piperidin-4-amine
CID 57045369
(Z)-2-(1-methylpiperidin-4-yl)ethenamine
CID 57686841
2,3,4,4a,5,6,7,9a-octahydro-1H-pyrido[2,3-d]azepine
CID 67031179
4-(But-3-en-1-yl)-1-methylpiperidine
CID 67186065
3-Piperidin-4-ylprop-1-en-1-amine
CID 68879747
3-(2,2,6,6-Tetramethylpiperidin-4-yl)prop-1-en-1-amine
CID 69223577
3-(4-Pentyl-2,3,4,5-tetrahydroazepin-1-yl)prop-1-en-1-amine
CID 70599577
1-(4-Methyl-1-pentenyl)piperidine
CID 86675030
1-(4-Ethyl-1-hexenyl)piperidine
CID 86675047

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine?
The IUPAC name of ethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine (CID 142212212) is ethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine?
The canonical SMILES for ethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine is CC.CN1CCC(CC/C=C\N)CC1.
What is the InChIKey of ethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine?
The InChIKey is IAPVJGPAEQKEOX-WYLUAFJRSA-N. The full InChI is InChI=1S/C10H20N2.C2H6/c1-12-8-5-10(6-9-12)4-2-3-7-11;1-2/h3,7,10H,2,4-6,8-9,11H2,1H3;1-2H3/b7-3-;.
What are the key properties of ethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine?
ethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine is sourced from PubChem (CID 142212212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).