3-imino-N,11-dimethyldodec-10-en-2-amine

C14H28N2 — CID 155364759

IUPAC3-imino-N,11-dimethyldodec-10-en-2-amine
SMILES[H]/N=C(\CCCCCCC=C(C)C)C(C)NC
InChIInChI=1S/C14H28N2/c1-12(2)10-8-6-5-7-9-11-14(15)13(3)16-4/h10,13,15-16H,5-9,11H2,1-4H3/b15-14+
InChIKeyZQLOOCBJWGYTSE-CCEZHUSRSA-N
MW224.39 g/mol
LogP3.92
Rot. Bonds9

About 3-imino-N,11-dimethyldodec-10-en-2-amine

3-imino-N,11-dimethyldodec-10-en-2-amine (PubChem CID 155364759) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-imino-N,11-dimethyldodec-10-en-2-amine.

Molecular Properties

Compound Name3-imino-N,11-dimethyldodec-10-en-2-amine
PubChem CID155364759
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-imino-N,11-dimethyldodec-10-en-2-amine
SMILES[H]/N=C(\CCCCCCC=C(C)C)C(C)NC
InChIInChI=1S/C14H28N2/c1-12(2)10-8-6-5-7-9-11-14(15)13(3)16-4/h10,13,15-16H,5-9,11H2,1-4H3/b15-14+
InChIKeyZQLOOCBJWGYTSE-CCEZHUSRSA-N
XLogP3.92
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-imino-N,11-dimethyldodec-10-en-2-amine?
The IUPAC name of 3-imino-N,11-dimethyldodec-10-en-2-amine (CID 155364759) is 3-imino-N,11-dimethyldodec-10-en-2-amine.
What is the SMILES notation for 3-imino-N,11-dimethyldodec-10-en-2-amine?
The canonical SMILES for 3-imino-N,11-dimethyldodec-10-en-2-amine is [H]/N=C(\CCCCCCC=C(C)C)C(C)NC.
What is the InChIKey of 3-imino-N,11-dimethyldodec-10-en-2-amine?
The InChIKey is ZQLOOCBJWGYTSE-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)10-8-6-5-7-9-11-14(15)13(3)16-4/h10,13,15-16H,5-9,11H2,1-4H3/b15-14+.
What are the key properties of 3-imino-N,11-dimethyldodec-10-en-2-amine?
3-imino-N,11-dimethyldodec-10-en-2-amine has a molecular weight of 224.39 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N,11-dimethyldodec-10-en-2-amine is sourced from PubChem (CID 155364759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).