5,6-dibutylundecan-5-amine

C19H41N — CID 3020485

IUPAC5,6-dibutylundecan-5-amine
SMILESCCCCCC(CCCC)C(N)(CCCC)CCCC
InChIInChI=1S/C19H41N/c1-5-9-13-15-18(14-10-6-2)19(20,16-11-7-3)17-12-8-4/h18H,5-17,20H2,1-4H3
InChIKeyFSNGUXFIPIMNSJ-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.45
Rot. Bonds14

About 5,6-dibutylundecan-5-amine

5,6-dibutylundecan-5-amine (PubChem CID 3020485) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is 5,6-dibutylundecan-5-amine.

Molecular Properties

Compound Name5,6-dibutylundecan-5-amine
PubChem CID3020485
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC Name5,6-dibutylundecan-5-amine
SMILESCCCCCC(CCCC)C(N)(CCCC)CCCC
InChIInChI=1S/C19H41N/c1-5-9-13-15-18(14-10-6-2)19(20,16-11-7-3)17-12-8-4/h18H,5-17,20H2,1-4H3
InChIKeyFSNGUXFIPIMNSJ-UHFFFAOYSA-N
XLogP6.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5,6-dibutylundecan-5-amine?
The IUPAC name of 5,6-dibutylundecan-5-amine (CID 3020485) is 5,6-dibutylundecan-5-amine.
What is the SMILES notation for 5,6-dibutylundecan-5-amine?
The canonical SMILES for 5,6-dibutylundecan-5-amine is CCCCCC(CCCC)C(N)(CCCC)CCCC.
What is the InChIKey of 5,6-dibutylundecan-5-amine?
The InChIKey is FSNGUXFIPIMNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-5-9-13-15-18(14-10-6-2)19(20,16-11-7-3)17-12-8-4/h18H,5-17,20H2,1-4H3.
What are the key properties of 5,6-dibutylundecan-5-amine?
5,6-dibutylundecan-5-amine has a molecular weight of 283.54 g/mol, XLogP of 6.45, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibutylundecan-5-amine is sourced from PubChem (CID 3020485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).