(17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine

C28H55N — CID 56944054

IUPAC(17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(CCCCCCCC)N(C)C
InChIInChI=1S/C28H55N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-28(29(3)4)26-24-22-12-10-8-6-2/h13-14,16-17,28H,5-12,15,18-27H2,1-4H3/b14-13-,17-16-
InChIKeyBZVVSXFWEQQFLE-AUGURXLVSA-N
MW405.76 g/mol
LogP9.48
Rot. Bonds22

About (17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine

(17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine (PubChem CID 56944054) has the molecular formula C28H55N and a molecular weight of 405.76 g/mol. Its IUPAC name is (17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine.

Molecular Properties

Compound Name(17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine
PubChem CID56944054
Molecular FormulaC28H55N
Molecular Weight405.76 g/mol
Exact Mass405.43
IUPAC Name(17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(CCCCCCCC)N(C)C
InChIInChI=1S/C28H55N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-28(29(3)4)26-24-22-12-10-8-6-2/h13-14,16-17,28H,5-12,15,18-27H2,1-4H3/b14-13-,17-16-
InChIKeyBZVVSXFWEQQFLE-AUGURXLVSA-N
XLogP9.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.76
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine?
The IUPAC name of (17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine (CID 56944054) is (17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine.
What is the SMILES notation for (17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine?
The canonical SMILES for (17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine is CCCCC/C=C\C/C=C\CCCCCCCC(CCCCCCCC)N(C)C.
What is the InChIKey of (17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine?
The InChIKey is BZVVSXFWEQQFLE-AUGURXLVSA-N. The full InChI is InChI=1S/C28H55N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-28(29(3)4)26-24-22-12-10-8-6-2/h13-14,16-17,28H,5-12,15,18-27H2,1-4H3/b14-13-,17-16-.
What are the key properties of (17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine?
(17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine has a molecular weight of 405.76 g/mol, XLogP of 9.48, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (17Z,20Z)-N,N-dimethylhexacosa-17,20-dien-9-amine is sourced from PubChem (CID 56944054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).