N,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine

C28H51N — CID 57112797

IUPACN,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine
SMILESCCCCN(CCCC)C(C=C(C)CCC=C(C)C)CC=C(C)CCC=C(C)C
InChIInChI=1S/C28H51N/c1-9-11-21-29(22-12-10-2)28(23-27(8)18-14-16-25(5)6)20-19-26(7)17-13-15-24(3)4/h15-16,19,23,28H,9-14,17-18,20-22H2,1-8H3
InChIKeyUTOZSBRVTFRCOR-UHFFFAOYSA-N
MW401.72 g/mol
LogP9.03
Rot. Bonds16

About N,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine

N,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine (PubChem CID 57112797) has the molecular formula C28H51N and a molecular weight of 401.72 g/mol. Its IUPAC name is N,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine.

Molecular Properties

Compound NameN,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine
PubChem CID57112797
Molecular FormulaC28H51N
Molecular Weight401.72 g/mol
Exact Mass401.40
IUPAC NameN,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine
SMILESCCCCN(CCCC)C(C=C(C)CCC=C(C)C)CC=C(C)CCC=C(C)C
InChIInChI=1S/C28H51N/c1-9-11-21-29(22-12-10-2)28(23-27(8)18-14-16-25(5)6)20-19-26(7)17-13-15-24(3)4/h15-16,19,23,28H,9-14,17-18,20-22H2,1-8H3
InChIKeyUTOZSBRVTFRCOR-UHFFFAOYSA-N
XLogP9.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine?
The IUPAC name of N,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine (CID 57112797) is N,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine.
What is the SMILES notation for N,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine?
The canonical SMILES for N,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine is CCCCN(CCCC)C(C=C(C)CCC=C(C)C)CC=C(C)CCC=C(C)C.
What is the InChIKey of N,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine?
The InChIKey is UTOZSBRVTFRCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51N/c1-9-11-21-29(22-12-10-2)28(23-27(8)18-14-16-25(5)6)20-19-26(7)17-13-15-24(3)4/h15-16,19,23,28H,9-14,17-18,20-22H2,1-8H3.
What are the key properties of N,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine?
N,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine has a molecular weight of 401.72 g/mol, XLogP of 9.03, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-amine is sourced from PubChem (CID 57112797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).