(3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine

C11H23N5 — CID 145197870

IUPAC(3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine
SMILESCN(C)C1CCN(/C(N)=C/C=C(N)N)CC1
InChIInChI=1S/C11H23N5/c1-15(2)9-5-7-16(8-6-9)11(14)4-3-10(12)13/h3-4,9H,5-8,12-14H2,1-2H3/b11-4+
InChIKeyDCLOZNCZOJOBFU-NYYWCZLTSA-N
MW225.34 g/mol
LogP-0.43
Rot. Bonds3

About (3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine

(3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine (PubChem CID 145197870) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is (3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine
PubChem CID145197870
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name(3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine
SMILESCN(C)C1CCN(/C(N)=C/C=C(N)N)CC1
InChIInChI=1S/C11H23N5/c1-15(2)9-5-7-16(8-6-9)11(14)4-3-10(12)13/h3-4,9H,5-8,12-14H2,1-2H3/b11-4+
InChIKeyDCLOZNCZOJOBFU-NYYWCZLTSA-N
XLogP-0.43
TPSA84.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine?
The IUPAC name of (3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine (CID 145197870) is (3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine is CN(C)C1CCN(/C(N)=C/C=C(N)N)CC1.
What is the InChIKey of (3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine?
The InChIKey is DCLOZNCZOJOBFU-NYYWCZLTSA-N. The full InChI is InChI=1S/C11H23N5/c1-15(2)9-5-7-16(8-6-9)11(14)4-3-10(12)13/h3-4,9H,5-8,12-14H2,1-2H3/b11-4+.
What are the key properties of (3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine?
(3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine has a molecular weight of 225.34 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 145197870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).