ethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine

C13H25N3 — CID 143800893

IUPACethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine
SMILESC=C/C=N\C(=C\NC)N1CCCCC1.CC
InChIInChI=1S/C11H19N3.C2H6/c1-3-7-13-11(10-12-2)14-8-5-4-6-9-14;1-2/h3,7,10,12H,1,4-6,8-9H2,2H3;1-2H3/b11-10-,13-7-;
InChIKeyMAPWBDGKXIGKMA-QNQIMJGZSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds4

About ethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine

ethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine (PubChem CID 143800893) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine.

Molecular Properties

Compound Nameethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine
PubChem CID143800893
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Nameethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine
SMILESC=C/C=N\C(=C\NC)N1CCCCC1.CC
InChIInChI=1S/C11H19N3.C2H6/c1-3-7-13-11(10-12-2)14-8-5-4-6-9-14;1-2/h3,7,10,12H,1,4-6,8-9H2,2H3;1-2H3/b11-10-,13-7-;
InChIKeyMAPWBDGKXIGKMA-QNQIMJGZSA-N
XLogP2.77
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-1-yl-1H-1,4-diazepine
CID 18329617
2-Pentyl-1,2-dihydropyrimidine
CID 19003890
1-pentyl-2H-pyrimidine
CID 66587415
1,2-dipentyl-2H-pyrimidine
CID 66633153
1-piperidin-4-yl-2H-pyrimidin-2-amine
CID 66896745
1,2-Dihydropyrimidine;piperidine
CID 69489554
2-(4-Methylpiperidin-1-yl)-1,2-dihydropyrimidine
CID 70338609
N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine
CID 70354420
1-hexyl-2H-pyrimidin-2-amine
CID 139612863
1-pentyl-2H-pyrimidin-2-amine
CID 139612864
1-butyl-2H-pyrimidin-2-amine
CID 139612870
(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 143782130

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine?
The IUPAC name of ethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine (CID 143800893) is ethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine.
What is the SMILES notation for ethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine?
The canonical SMILES for ethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine is C=C/C=N\C(=C\NC)N1CCCCC1.CC.
What is the InChIKey of ethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine?
The InChIKey is MAPWBDGKXIGKMA-QNQIMJGZSA-N. The full InChI is InChI=1S/C11H19N3.C2H6/c1-3-7-13-11(10-12-2)14-8-5-4-6-9-14;1-2/h3,7,10,12H,1,4-6,8-9H2,2H3;1-2H3/b11-10-,13-7-;.
What are the key properties of ethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine?
ethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine has a molecular weight of 223.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine is sourced from PubChem (CID 143800893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).