(E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine

C16H38N6 — CID 11681205

IUPAC(E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine
SMILESNCCCN(C/C=C/CN(CCCN)CCCN)CCCN
InChIInChI=1S/C16H38N6/c17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20/h1-2H,3-20H2/b2-1+
InChIKeyVPFJGOVUEVILJM-OWOJBTEDSA-N
MW314.52 g/mol
LogP-0.46
Rot. Bonds16

About (E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine

(E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine (PubChem CID 11681205) has the molecular formula C16H38N6 and a molecular weight of 314.52 g/mol. Its IUPAC name is (E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine
PubChem CID11681205
Molecular FormulaC16H38N6
Molecular Weight314.52 g/mol
Exact Mass314.32
IUPAC Name(E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine
SMILESNCCCN(C/C=C/CN(CCCN)CCCN)CCCN
InChIInChI=1S/C16H38N6/c17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20/h1-2H,3-20H2/b2-1+
InChIKeyVPFJGOVUEVILJM-OWOJBTEDSA-N
XLogP-0.46
TPSA110.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine (CID 11681205) is (E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine is NCCCN(C/C=C/CN(CCCN)CCCN)CCCN.
What is the InChIKey of (E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine?
The InChIKey is VPFJGOVUEVILJM-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H38N6/c17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20/h1-2H,3-20H2/b2-1+.
What are the key properties of (E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine?
(E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine has a molecular weight of 314.52 g/mol, XLogP of -0.46, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,N',N'-tetrakis(3-aminopropyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 11681205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).