N,N,N',N'-tetrabutylhexanediamide

C22H44N2O2 — CID 2933474

IUPACN,N,N',N'-tetrabutylhexanediamide
SMILESCCCCN(CCCC)C(=O)CCCCC(=O)N(CCCC)CCCC
InChIInChI=1S/C22H44N2O2/c1-5-9-17-23(18-10-6-2)21(25)15-13-14-16-22(26)24(19-11-7-3)20-12-8-4/h5-20H2,1-4H3
InChIKeyQVQZFDVPVBBFAT-UHFFFAOYSA-N
MW368.61 g/mol
LogP5.40
Rot. Bonds17

About N,N,N',N'-tetrabutylhexanediamide

N,N,N',N'-tetrabutylhexanediamide (PubChem CID 2933474) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is N,N,N',N'-tetrabutylhexanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetrabutylhexanediamide
PubChem CID2933474
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC NameN,N,N',N'-tetrabutylhexanediamide
SMILESCCCCN(CCCC)C(=O)CCCCC(=O)N(CCCC)CCCC
InChIInChI=1S/C22H44N2O2/c1-5-9-17-23(18-10-6-2)21(25)15-13-14-16-22(26)24(19-11-7-3)20-12-8-4/h5-20H2,1-4H3
InChIKeyQVQZFDVPVBBFAT-UHFFFAOYSA-N
XLogP5.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 55.40
H-Bond Donors ≤ 50
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,N',N'-tetrabutylhexanediamide?
The IUPAC name of N,N,N',N'-tetrabutylhexanediamide (CID 2933474) is N,N,N',N'-tetrabutylhexanediamide.
What is the SMILES notation for N,N,N',N'-tetrabutylhexanediamide?
The canonical SMILES for N,N,N',N'-tetrabutylhexanediamide is CCCCN(CCCC)C(=O)CCCCC(=O)N(CCCC)CCCC.
What is the InChIKey of N,N,N',N'-tetrabutylhexanediamide?
The InChIKey is QVQZFDVPVBBFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-5-9-17-23(18-10-6-2)21(25)15-13-14-16-22(26)24(19-11-7-3)20-12-8-4/h5-20H2,1-4H3.
What are the key properties of N,N,N',N'-tetrabutylhexanediamide?
N,N,N',N'-tetrabutylhexanediamide has a molecular weight of 368.61 g/mol, XLogP of 5.40, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrabutylhexanediamide is sourced from PubChem (CID 2933474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).