N,N'-dioctylmethanediamine

C17H38N2 — CID 175060876

IUPACN,N'-dioctylmethanediamine
SMILESCCCCCCCCNCNCCCCCCCC
InChIInChI=1S/C17H38N2/c1-3-5-7-9-11-13-15-18-17-19-16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyVTZXNIUYMWPQLJ-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.84
Rot. Bonds16

About N,N'-dioctylmethanediamine

N,N'-dioctylmethanediamine (PubChem CID 175060876) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is N,N'-dioctylmethanediamine.

Molecular Properties

Compound NameN,N'-dioctylmethanediamine
PubChem CID175060876
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC NameN,N'-dioctylmethanediamine
SMILESCCCCCCCCNCNCCCCCCCC
InChIInChI=1S/C17H38N2/c1-3-5-7-9-11-13-15-18-17-19-16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyVTZXNIUYMWPQLJ-UHFFFAOYSA-N
XLogP4.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
methane;N-octyloctan-1-amine
CID 87294693
N-butyltetradecan-1-amine
CID 3548872
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
4-[(pentylamino)methylamino]butan-1-ol
CID 138491403

Frequently Asked Questions

What is the IUPAC name of N,N'-dioctylmethanediamine?
The IUPAC name of N,N'-dioctylmethanediamine (CID 175060876) is N,N'-dioctylmethanediamine.
What is the SMILES notation for N,N'-dioctylmethanediamine?
The canonical SMILES for N,N'-dioctylmethanediamine is CCCCCCCCNCNCCCCCCCC.
What is the InChIKey of N,N'-dioctylmethanediamine?
The InChIKey is VTZXNIUYMWPQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-3-5-7-9-11-13-15-18-17-19-16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3.
What are the key properties of N,N'-dioctylmethanediamine?
N,N'-dioctylmethanediamine has a molecular weight of 270.50 g/mol, XLogP of 4.84, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dioctylmethanediamine is sourced from PubChem (CID 175060876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).