(E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine

C17H28N2 — CID 15357559

IUPAC(E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine
SMILESC=CCN(CC=C)C/C=C(\C)CN(CC=C)CC=C
InChIInChI=1S/C17H28N2/c1-6-11-18(12-7-2)15-10-17(5)16-19(13-8-3)14-9-4/h6-10H,1-4,11-16H2,5H3/b17-10+
InChIKeyBYTNXMUDGUOVMW-LICLKQGHSA-N
MW260.43 g/mol
LogP3.28
Rot. Bonds12

About (E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine

(E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine (PubChem CID 15357559) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is (E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine
PubChem CID15357559
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name(E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine
SMILESC=CCN(CC=C)C/C=C(\C)CN(CC=C)CC=C
InChIInChI=1S/C17H28N2/c1-6-11-18(12-7-2)15-10-17(5)16-19(13-8-3)14-9-4/h6-10H,1-4,11-16H2,5H3/b17-10+
InChIKeyBYTNXMUDGUOVMW-LICLKQGHSA-N
XLogP3.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine?
The IUPAC name of (E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine (CID 15357559) is (E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine?
The canonical SMILES for (E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine is C=CCN(CC=C)C/C=C(\C)CN(CC=C)CC=C.
What is the InChIKey of (E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine?
The InChIKey is BYTNXMUDGUOVMW-LICLKQGHSA-N. The full InChI is InChI=1S/C17H28N2/c1-6-11-18(12-7-2)15-10-17(5)16-19(13-8-3)14-9-4/h6-10H,1-4,11-16H2,5H3/b17-10+.
What are the key properties of (E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine?
(E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.28, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N,N,N',N'-tetrakis(prop-2-enyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 15357559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).