N,N'-dibutylhexane-1,6-diamine

C14H32N2 — CID 20972

IUPACN,N'-dibutylhexane-1,6-diamine
SMILESCCCCNCCCCCCNCCCC
InChIInChI=1S/C14H32N2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyVZRUGPJUVWRHKM-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.33
Rot. Bonds13

About N,N'-dibutylhexane-1,6-diamine

N,N'-dibutylhexane-1,6-diamine (PubChem CID 20972) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N,N'-dibutylhexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-dibutylhexane-1,6-diamine
PubChem CID20972
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN,N'-dibutylhexane-1,6-diamine
SMILESCCCCNCCCCCCNCCCC
InChIInChI=1S/C14H32N2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyVZRUGPJUVWRHKM-UHFFFAOYSA-N
XLogP3.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dibutylhexane-1,6-diamine?
The IUPAC name of N,N'-dibutylhexane-1,6-diamine (CID 20972) is N,N'-dibutylhexane-1,6-diamine.
What is the SMILES notation for N,N'-dibutylhexane-1,6-diamine?
The canonical SMILES for N,N'-dibutylhexane-1,6-diamine is CCCCNCCCCCCNCCCC.
What is the InChIKey of N,N'-dibutylhexane-1,6-diamine?
The InChIKey is VZRUGPJUVWRHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of N,N'-dibutylhexane-1,6-diamine?
N,N'-dibutylhexane-1,6-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.33, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutylhexane-1,6-diamine is sourced from PubChem (CID 20972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).