2-dodecyl-3-iminocyclopropen-1-amine

C15H28N2 — CID 59755483

IUPAC2-dodecyl-3-iminocyclopropen-1-amine
SMILES[H]/N=c1/c(N)c1CCCCCCCCCCCC
InChIInChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(13)17/h16H,2-12,17H2,1H3/b16-14+
InChIKeyLKMOTYFOCIRGBH-JQIJEIRASA-N
MW236.40 g/mol
LogP4.09
Rot. Bonds11

About 2-dodecyl-3-iminocyclopropen-1-amine

2-dodecyl-3-iminocyclopropen-1-amine (PubChem CID 59755483) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-dodecyl-3-iminocyclopropen-1-amine.

Molecular Properties

Compound Name2-dodecyl-3-iminocyclopropen-1-amine
PubChem CID59755483
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-dodecyl-3-iminocyclopropen-1-amine
SMILES[H]/N=c1/c(N)c1CCCCCCCCCCCC
InChIInChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(13)17/h16H,2-12,17H2,1H3/b16-14+
InChIKeyLKMOTYFOCIRGBH-JQIJEIRASA-N
XLogP4.09
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-dodecyl-3-iminocyclopropen-1-amine?
The IUPAC name of 2-dodecyl-3-iminocyclopropen-1-amine (CID 59755483) is 2-dodecyl-3-iminocyclopropen-1-amine.
What is the SMILES notation for 2-dodecyl-3-iminocyclopropen-1-amine?
The canonical SMILES for 2-dodecyl-3-iminocyclopropen-1-amine is [H]/N=c1/c(N)c1CCCCCCCCCCCC.
What is the InChIKey of 2-dodecyl-3-iminocyclopropen-1-amine?
The InChIKey is LKMOTYFOCIRGBH-JQIJEIRASA-N. The full InChI is InChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(13)17/h16H,2-12,17H2,1H3/b16-14+.
What are the key properties of 2-dodecyl-3-iminocyclopropen-1-amine?
2-dodecyl-3-iminocyclopropen-1-amine has a molecular weight of 236.40 g/mol, XLogP of 4.09, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-3-iminocyclopropen-1-amine is sourced from PubChem (CID 59755483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).