N'-dodecylethane-1,2-diamine

C14H32N2 — CID 10561362

IUPACN'-dodecylethane-1,2-diamine
SMILESCCCCCCCCCCCCNCCN
InChIInChI=1S/C14H32N2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h16H,2-15H2,1H3
InChIKeyQCENGKPIBJNODL-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.46
Rot. Bonds13

About N'-dodecylethane-1,2-diamine

N'-dodecylethane-1,2-diamine (PubChem CID 10561362) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N'-dodecylethane-1,2-diamine.

Molecular Properties

Compound NameN'-dodecylethane-1,2-diamine
PubChem CID10561362
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN'-dodecylethane-1,2-diamine
SMILESCCCCCCCCCCCCNCCN
InChIInChI=1S/C14H32N2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h16H,2-15H2,1H3
InChIKeyQCENGKPIBJNODL-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.46
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'-dodecylethane-1,2-diamine?
The IUPAC name of N'-dodecylethane-1,2-diamine (CID 10561362) is N'-dodecylethane-1,2-diamine.
What is the SMILES notation for N'-dodecylethane-1,2-diamine?
The canonical SMILES for N'-dodecylethane-1,2-diamine is CCCCCCCCCCCCNCCN.
What is the InChIKey of N'-dodecylethane-1,2-diamine?
The InChIKey is QCENGKPIBJNODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h16H,2-15H2,1H3.
What are the key properties of N'-dodecylethane-1,2-diamine?
N'-dodecylethane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.46, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dodecylethane-1,2-diamine is sourced from PubChem (CID 10561362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).