5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine

C14H28N2 — CID 12735506

IUPAC5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine
SMILESCCCCC(C=C=CCN(C)C)CN(C)C
InChIInChI=1S/C14H28N2/c1-6-7-10-14(13-16(4)5)11-8-9-12-15(2)3/h9,11,14H,6-7,10,12-13H2,1-5H3
InChIKeyXLNOAJUBDKXBMT-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.63
Rot. Bonds8

About 5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine

5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine (PubChem CID 12735506) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine.

Molecular Properties

Compound Name5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine
PubChem CID12735506
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine
SMILESCCCCC(C=C=CCN(C)C)CN(C)C
InChIInChI=1S/C14H28N2/c1-6-7-10-14(13-16(4)5)11-8-9-12-15(2)3/h9,11,14H,6-7,10,12-13H2,1-5H3
InChIKeyXLNOAJUBDKXBMT-UHFFFAOYSA-N
XLogP2.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine?
The IUPAC name of 5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine (CID 12735506) is 5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine.
What is the SMILES notation for 5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine?
The canonical SMILES for 5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine is CCCCC(C=C=CCN(C)C)CN(C)C.
What is the InChIKey of 5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine?
The InChIKey is XLNOAJUBDKXBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-7-10-14(13-16(4)5)11-8-9-12-15(2)3/h9,11,14H,6-7,10,12-13H2,1-5H3.
What are the key properties of 5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine?
5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N,N,N',N'-tetramethylhexa-2,3-diene-1,6-diamine is sourced from PubChem (CID 12735506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).