methane;N-octyloctan-1-amine

C17H39N — CID 87294693

IUPACmethane;N-octyloctan-1-amine
SMILESC.CCCCCCCCNCCCCCCCC
InChIInChI=1S/C16H35N.CH4/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h17H,3-16H2,1-2H3;1H4
InChIKeySPHZIPMYFBYVFK-UHFFFAOYSA-N
MW257.51 g/mol
LogP5.93
Rot. Bonds14

About methane;N-octyloctan-1-amine

methane;N-octyloctan-1-amine (PubChem CID 87294693) has the molecular formula C17H39N and a molecular weight of 257.51 g/mol. Its IUPAC name is methane;N-octyloctan-1-amine.

Molecular Properties

Compound Namemethane;N-octyloctan-1-amine
PubChem CID87294693
Molecular FormulaC17H39N
Molecular Weight257.51 g/mol
Exact Mass257.31
IUPAC Namemethane;N-octyloctan-1-amine
SMILESC.CCCCCCCCNCCCCCCCC
InChIInChI=1S/C16H35N.CH4/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h17H,3-16H2,1-2H3;1H4
InChIKeySPHZIPMYFBYVFK-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
N-butyltetradecan-1-amine
CID 3548872
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
azane;N-hexyldecan-1-amine;dihydroiodide
CID 173206397
sulfanium;N-decyldecan-1-amine;chloride
CID 158756952

Frequently Asked Questions

What is the IUPAC name of methane;N-octyloctan-1-amine?
The IUPAC name of methane;N-octyloctan-1-amine (CID 87294693) is methane;N-octyloctan-1-amine.
What is the SMILES notation for methane;N-octyloctan-1-amine?
The canonical SMILES for methane;N-octyloctan-1-amine is C.CCCCCCCCNCCCCCCCC.
What is the InChIKey of methane;N-octyloctan-1-amine?
The InChIKey is SPHZIPMYFBYVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.CH4/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h17H,3-16H2,1-2H3;1H4.
What are the key properties of methane;N-octyloctan-1-amine?
methane;N-octyloctan-1-amine has a molecular weight of 257.51 g/mol, XLogP of 5.93, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-octyloctan-1-amine is sourced from PubChem (CID 87294693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).