2-chloro-N-(cyclododecylmethyl)ethanamine

C15H30ClN — CID 18316387

IUPAC2-chloro-N-(cyclododecylmethyl)ethanamine
SMILESClCCNCC1CCCCCCCCCCC1
InChIInChI=1S/C15H30ClN/c16-12-13-17-14-15-10-8-6-4-2-1-3-5-7-9-11-15/h15,17H,1-14H2
InChIKeyPLMCYUMMPDFQLV-UHFFFAOYSA-N
MW259.86 g/mol
LogP4.74
Rot. Bonds4

About 2-chloro-N-(cyclododecylmethyl)ethanamine

2-chloro-N-(cyclododecylmethyl)ethanamine (PubChem CID 18316387) has the molecular formula C15H30ClN and a molecular weight of 259.86 g/mol. Its IUPAC name is 2-chloro-N-(cyclododecylmethyl)ethanamine.

Molecular Properties

Compound Name2-chloro-N-(cyclododecylmethyl)ethanamine
PubChem CID18316387
Molecular FormulaC15H30ClN
Molecular Weight259.86 g/mol
Exact Mass259.21
IUPAC Name2-chloro-N-(cyclododecylmethyl)ethanamine
SMILESClCCNCC1CCCCCCCCCCC1
InChIInChI=1S/C15H30ClN/c16-12-13-17-14-15-10-8-6-4-2-1-3-5-7-9-11-15/h15,17H,1-14H2
InChIKeyPLMCYUMMPDFQLV-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.86
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclododecylmethyl)ethanamine?
The IUPAC name of 2-chloro-N-(cyclododecylmethyl)ethanamine (CID 18316387) is 2-chloro-N-(cyclododecylmethyl)ethanamine.
What is the SMILES notation for 2-chloro-N-(cyclododecylmethyl)ethanamine?
The canonical SMILES for 2-chloro-N-(cyclododecylmethyl)ethanamine is ClCCNCC1CCCCCCCCCCC1.
What is the InChIKey of 2-chloro-N-(cyclododecylmethyl)ethanamine?
The InChIKey is PLMCYUMMPDFQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClN/c16-12-13-17-14-15-10-8-6-4-2-1-3-5-7-9-11-15/h15,17H,1-14H2.
What are the key properties of 2-chloro-N-(cyclododecylmethyl)ethanamine?
2-chloro-N-(cyclododecylmethyl)ethanamine has a molecular weight of 259.86 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclododecylmethyl)ethanamine is sourced from PubChem (CID 18316387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).