1-N,4-N-di(butan-2-yl)benzene-1,4-diamine

C14H24N2 — CID 7589

IUPAC1-N,4-N-di(butan-2-yl)benzene-1,4-diamine
SMILESCCC(C)Nc1ccc(NC(C)CC)cc1
InChIInChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3
InChIKeyFSWDLYNGJBGFJH-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.11
Rot. Bonds6

About 1-N,4-N-di(butan-2-yl)benzene-1,4-diamine

1-N,4-N-di(butan-2-yl)benzene-1,4-diamine (PubChem CID 7589) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N,4-N-di(butan-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-di(butan-2-yl)benzene-1,4-diamine
PubChem CID7589
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N,4-N-di(butan-2-yl)benzene-1,4-diamine
SMILESCCC(C)Nc1ccc(NC(C)CC)cc1
InChIInChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3
InChIKeyFSWDLYNGJBGFJH-UHFFFAOYSA-N
XLogP4.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-di(butan-2-yl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-di(butan-2-yl)benzene-1,4-diamine (CID 7589) is 1-N,4-N-di(butan-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-di(butan-2-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-di(butan-2-yl)benzene-1,4-diamine is CCC(C)Nc1ccc(NC(C)CC)cc1.
What is the InChIKey of 1-N,4-N-di(butan-2-yl)benzene-1,4-diamine?
The InChIKey is FSWDLYNGJBGFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3.
What are the key properties of 1-N,4-N-di(butan-2-yl)benzene-1,4-diamine?
1-N,4-N-di(butan-2-yl)benzene-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-di(butan-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 7589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).