(E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine

C17H35N3 — CID 6450915

IUPAC(E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine
SMILESCC(C)NC/C=C/CN(C/C=C/CNC(C)C)C(C)C
InChIInChI=1S/C17H35N3/c1-15(2)18-11-7-9-13-20(17(5)6)14-10-8-12-19-16(3)4/h7-10,15-19H,11-14H2,1-6H3/b9-7+,10-8+
InChIKeyNQNPALSZCSPJTA-FIFLTTCUSA-N
MW281.49 g/mol
LogP2.81
Rot. Bonds11

About (E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine

(E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine (PubChem CID 6450915) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is (E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine
PubChem CID6450915
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name(E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine
SMILESCC(C)NC/C=C/CN(C/C=C/CNC(C)C)C(C)C
InChIInChI=1S/C17H35N3/c1-15(2)18-11-7-9-13-20(17(5)6)14-10-8-12-19-16(3)4/h7-10,15-19H,11-14H2,1-6H3/b9-7+,10-8+
InChIKeyNQNPALSZCSPJTA-FIFLTTCUSA-N
XLogP2.81
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine (CID 6450915) is (E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine is CC(C)NC/C=C/CN(C/C=C/CNC(C)C)C(C)C.
What is the InChIKey of (E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine?
The InChIKey is NQNPALSZCSPJTA-FIFLTTCUSA-N. The full InChI is InChI=1S/C17H35N3/c1-15(2)18-11-7-9-13-20(17(5)6)14-10-8-12-19-16(3)4/h7-10,15-19H,11-14H2,1-6H3/b9-7+,10-8+.
What are the key properties of (E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine?
(E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine has a molecular weight of 281.49 g/mol, XLogP of 2.81, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-di(propan-2-yl)-N'-[(E)-4-(propan-2-ylamino)but-2-enyl]but-2-ene-1,4-diamine is sourced from PubChem (CID 6450915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).