10,10-dimethyl-9-octyloctadecan-9-amine

C28H59N — CID 22461933

IUPAC10,10-dimethyl-9-octyloctadecan-9-amine
SMILESCCCCCCCCC(C)(C)C(N)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C28H59N/c1-6-9-12-15-18-21-24-27(4,5)28(29,25-22-19-16-13-10-7-2)26-23-20-17-14-11-8-3/h6-26,29H2,1-5H3
InChIKeyFCJXZGDXRRDGCE-UHFFFAOYSA-N
MW409.79 g/mol
LogP9.96
Rot. Bonds22

About 10,10-dimethyl-9-octyloctadecan-9-amine

10,10-dimethyl-9-octyloctadecan-9-amine (PubChem CID 22461933) has the molecular formula C28H59N and a molecular weight of 409.79 g/mol. Its IUPAC name is 10,10-dimethyl-9-octyloctadecan-9-amine.

Molecular Properties

Compound Name10,10-dimethyl-9-octyloctadecan-9-amine
PubChem CID22461933
Molecular FormulaC28H59N
Molecular Weight409.79 g/mol
Exact Mass409.46
IUPAC Name10,10-dimethyl-9-octyloctadecan-9-amine
SMILESCCCCCCCCC(C)(C)C(N)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C28H59N/c1-6-9-12-15-18-21-24-27(4,5)28(29,25-22-19-16-13-10-7-2)26-23-20-17-14-11-8-3/h6-26,29H2,1-5H3
InChIKeyFCJXZGDXRRDGCE-UHFFFAOYSA-N
XLogP9.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.79
LogP ≤ 59.96
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 10,10-dimethyl-9-octyloctadecan-9-amine?
The IUPAC name of 10,10-dimethyl-9-octyloctadecan-9-amine (CID 22461933) is 10,10-dimethyl-9-octyloctadecan-9-amine.
What is the SMILES notation for 10,10-dimethyl-9-octyloctadecan-9-amine?
The canonical SMILES for 10,10-dimethyl-9-octyloctadecan-9-amine is CCCCCCCCC(C)(C)C(N)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 10,10-dimethyl-9-octyloctadecan-9-amine?
The InChIKey is FCJXZGDXRRDGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N/c1-6-9-12-15-18-21-24-27(4,5)28(29,25-22-19-16-13-10-7-2)26-23-20-17-14-11-8-3/h6-26,29H2,1-5H3.
What are the key properties of 10,10-dimethyl-9-octyloctadecan-9-amine?
10,10-dimethyl-9-octyloctadecan-9-amine has a molecular weight of 409.79 g/mol, XLogP of 9.96, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-9-octyloctadecan-9-amine is sourced from PubChem (CID 22461933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).