N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine

C20H40N2 — CID 154124490

IUPACN,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine
SMILESCCCCN(C=CC=CN(CCCC)CCCC)CCCC
InChIInChI=1S/C20H40N2/c1-5-9-15-21(16-10-6-2)19-13-14-20-22(17-11-7-3)18-12-8-4/h13-14,19-20H,5-12,15-18H2,1-4H3
InChIKeyAGZSDNMBMHDDDJ-UHFFFAOYSA-N
MW308.55 g/mol
LogP5.82
Rot. Bonds15

About N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine

N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine (PubChem CID 154124490) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine
PubChem CID154124490
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC NameN,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine
SMILESCCCCN(C=CC=CN(CCCC)CCCC)CCCC
InChIInChI=1S/C20H40N2/c1-5-9-15-21(16-10-6-2)19-13-14-20-22(17-11-7-3)18-12-8-4/h13-14,19-20H,5-12,15-18H2,1-4H3
InChIKeyAGZSDNMBMHDDDJ-UHFFFAOYSA-N
XLogP5.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(dioctylamino)prop-2-enal
CID 134949607
N-butyl-N-oct-1-enyloctan-1-amine
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1,1,2,2-tetrabutylhydrazine;hydrate
CID 172702997
N-hex-1-enyl-N-hexylhexan-1-amine
CID 54411369
N-butyl-N-ethenylpentan-1-amine
CID 154960223
(2Z,4E)-5-(dihexylamino)-2-methylpenta-2,4-dienenitrile
CID 58559705
N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride
CID 155653006
N-butyl-N-octadecylformamide
CID 54030417
N-butyl-N-iodobutan-1-amine
CID 19800845
ethyl (2E,4E)-2-cyano-5-(dibutylamino)penta-2,4-dienoate
CID 146177722
[(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium
CID 5475712
3-[(3Z,5E)-3-amino-6-(dibutylamino)hexa-1,3,5-trien-2-yl]oxypropane-1,2-diol
CID 89394882

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine?
The IUPAC name of N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine (CID 154124490) is N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine.
What is the SMILES notation for N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine?
The canonical SMILES for N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine is CCCCN(C=CC=CN(CCCC)CCCC)CCCC.
What is the InChIKey of N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine?
The InChIKey is AGZSDNMBMHDDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-5-9-15-21(16-10-6-2)19-13-14-20-22(17-11-7-3)18-12-8-4/h13-14,19-20H,5-12,15-18H2,1-4H3.
What are the key properties of N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine?
N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine has a molecular weight of 308.55 g/mol, XLogP of 5.82, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine is sourced from PubChem (CID 154124490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).