(1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine

C12H24N4 — CID 134406446

IUPAC(1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine
SMILESCNC1(C)CCN(/C(N)=C/C=C(/C)N)CC1
InChIInChI=1S/C12H24N4/c1-10(13)4-5-11(14)16-8-6-12(2,15-3)7-9-16/h4-5,15H,6-9,13-14H2,1-3H3/b10-4-,11-5+
InChIKeyJJZAKWGEGRAGDW-WIZYTBDYSA-N
MW224.35 g/mol
LogP0.72
Rot. Bonds3

About (1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine

(1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine (PubChem CID 134406446) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is (1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine
PubChem CID134406446
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name(1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine
SMILESCNC1(C)CCN(/C(N)=C/C=C(/C)N)CC1
InChIInChI=1S/C12H24N4/c1-10(13)4-5-11(14)16-8-6-12(2,15-3)7-9-16/h4-5,15H,6-9,13-14H2,1-3H3/b10-4-,11-5+
InChIKeyJJZAKWGEGRAGDW-WIZYTBDYSA-N
XLogP0.72
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine (CID 134406446) is (1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine is CNC1(C)CCN(/C(N)=C/C=C(/C)N)CC1.
What is the InChIKey of (1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine?
The InChIKey is JJZAKWGEGRAGDW-WIZYTBDYSA-N. The full InChI is InChI=1S/C12H24N4/c1-10(13)4-5-11(14)16-8-6-12(2,15-3)7-9-16/h4-5,15H,6-9,13-14H2,1-3H3/b10-4-,11-5+.
What are the key properties of (1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine has a molecular weight of 224.35 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 134406446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).