N'-decylethane-1,2-diamine

C12H28N2 — CID 12659617

IUPACN'-decylethane-1,2-diamine
SMILESCCCCCCCCCCNCCN
InChIInChI=1S/C12H28N2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h14H,2-13H2,1H3
InChIKeyYZPMGCUOUVFLJC-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.68
Rot. Bonds11

About N'-decylethane-1,2-diamine

N'-decylethane-1,2-diamine (PubChem CID 12659617) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-decylethane-1,2-diamine.

Molecular Properties

Compound NameN'-decylethane-1,2-diamine
PubChem CID12659617
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-decylethane-1,2-diamine
SMILESCCCCCCCCCCNCCN
InChIInChI=1S/C12H28N2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h14H,2-13H2,1H3
InChIKeyYZPMGCUOUVFLJC-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.68
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 N'-decylethane-1,2-diamine?
The IUPAC name of N'-decylethane-1,2-diamine (CID 12659617) is N'-decylethane-1,2-diamine.
What is the SMILES notation for N'-decylethane-1,2-diamine?
The canonical SMILES for N'-decylethane-1,2-diamine is CCCCCCCCCCNCCN.
What is the InChIKey of N'-decylethane-1,2-diamine?
The InChIKey is YZPMGCUOUVFLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h14H,2-13H2,1H3.
What are the key properties of N'-decylethane-1,2-diamine?
N'-decylethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.68, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-decylethane-1,2-diamine is sourced from PubChem (CID 12659617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).