(E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane

C13H27N3 — CID 144740227

IUPAC(E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane
SMILESC/N=C(\C=C(/C)N)C1CCNCC1.CCC
InChIInChI=1S/C10H19N3.C3H8/c1-8(11)7-10(12-2)9-3-5-13-6-4-9;1-3-2/h7,9,13H,3-6,11H2,1-2H3;3H2,1-2H3/b8-7+,12-10+;
InChIKeyXDHHJUVOLLATBY-QFWHUFFFSA-N
MW225.38 g/mol
LogP2.34
Rot. Bonds2

About (E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane

(E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane (PubChem CID 144740227) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is (E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane.

Molecular Properties

Compound Name(E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane
PubChem CID144740227
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name(E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane
SMILESC/N=C(\C=C(/C)N)C1CCNCC1.CCC
InChIInChI=1S/C10H19N3.C3H8/c1-8(11)7-10(12-2)9-3-5-13-6-4-9;1-3-2/h7,9,13H,3-6,11H2,1-2H3;3H2,1-2H3/b8-7+,12-10+;
InChIKeyXDHHJUVOLLATBY-QFWHUFFFSA-N
XLogP2.34
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.34
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

Cyclohex-1-ene, 1-ethylamino-3-ethylimino-5,5-dimethyl-
CID 130849495
1-[6-(6-Fluorohexan-2-yl)-2,3-dihydropyridin-5-yl]piperazine
CID 117852689
(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
(E)-2-fluoro-1-(4-fluoropiperidin-4-yl)-N-methylpent-2-en-1-imine
CID 144037445
((1Z)-1-Methyl-2-(1-pyrrolin-2-yl)vinyl)(2-methylpropyl)amine
CID 11412728
N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine
CID 29925431
4-(3H-pyrrol-5-ylmethyl)piperidine
CID 54520917
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
6-Methyl-3-piperidin-4-yl-3,4-dihydropyridine
CID 69355119
6-Piperidin-3-yl-3,4-dihydropyridine
CID 90103419
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
1-(6-But-1-en-2-yl-2,3-dihydropyridin-5-yl)piperazine
CID 117852720

Frequently Asked Questions

What is the IUPAC name of (E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane?
The IUPAC name of (E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane (CID 144740227) is (E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane.
What is the SMILES notation for (E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane?
The canonical SMILES for (E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane is C/N=C(\C=C(/C)N)C1CCNCC1.CCC.
What is the InChIKey of (E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane?
The InChIKey is XDHHJUVOLLATBY-QFWHUFFFSA-N. The full InChI is InChI=1S/C10H19N3.C3H8/c1-8(11)7-10(12-2)9-3-5-13-6-4-9;1-3-2/h7,9,13H,3-6,11H2,1-2H3;3H2,1-2H3/b8-7+,12-10+;.
What are the key properties of (E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane?
(E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane has a molecular weight of 225.38 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane is sourced from PubChem (CID 144740227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).