8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine

C26H53N3 — CID 87560522

IUPAC8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine
SMILESC/C(=N\CCCCCCCCNCCCCCCCC/N=C(\C)C(C)C)C(C)C
InChIInChI=1S/C26H53N3/c1-23(2)25(5)28-21-17-13-9-7-11-15-19-27-20-16-12-8-10-14-18-22-29-26(6)24(3)4/h23-24,27H,7-22H2,1-6H3/b28-25+,29-26+
InChIKeyLNYMVLHQQJYGJV-XQHINZDJSA-N
MW407.73 g/mol
LogP7.49
Rot. Bonds20

About 8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine

8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine (PubChem CID 87560522) has the molecular formula C26H53N3 and a molecular weight of 407.73 g/mol. Its IUPAC name is 8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine.

Molecular Properties

Compound Name8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine
PubChem CID87560522
Molecular FormulaC26H53N3
Molecular Weight407.73 g/mol
Exact Mass407.42
IUPAC Name8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine
SMILESC/C(=N\CCCCCCCCNCCCCCCCC/N=C(\C)C(C)C)C(C)C
InChIInChI=1S/C26H53N3/c1-23(2)25(5)28-21-17-13-9-7-11-15-19-27-20-16-12-8-10-14-18-22-29-26(6)24(3)4/h23-24,27H,7-22H2,1-6H3/b28-25+,29-26+
InChIKeyLNYMVLHQQJYGJV-XQHINZDJSA-N
XLogP7.49
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.73
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine?
The IUPAC name of 8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine (CID 87560522) is 8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine.
What is the SMILES notation for 8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine?
The canonical SMILES for 8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine is C/C(=N\CCCCCCCCNCCCCCCCC/N=C(\C)C(C)C)C(C)C.
What is the InChIKey of 8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine?
The InChIKey is LNYMVLHQQJYGJV-XQHINZDJSA-N. The full InChI is InChI=1S/C26H53N3/c1-23(2)25(5)28-21-17-13-9-7-11-15-19-27-20-16-12-8-10-14-18-22-29-26(6)24(3)4/h23-24,27H,7-22H2,1-6H3/b28-25+,29-26+.
What are the key properties of 8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine?
8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine has a molecular weight of 407.73 g/mol, XLogP of 7.49, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine is sourced from PubChem (CID 87560522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).