molecular nitrogen;octan-1-amine

C8H19N3 — CID 174577899

IUPACmolecular nitrogen;octan-1-amine
SMILESCCCCCCCCN.N#N
InChIInChI=1S/C8H19N.N2/c1-2-3-4-5-6-7-8-9;1-2/h2-9H2,1H3;
InChIKeyOWABWLNCAWJBPB-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.34
Rot. Bonds6

About molecular nitrogen;octan-1-amine

molecular nitrogen;octan-1-amine (PubChem CID 174577899) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is molecular nitrogen;octan-1-amine.

Molecular Properties

Compound Namemolecular nitrogen;octan-1-amine
PubChem CID174577899
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Namemolecular nitrogen;octan-1-amine
SMILESCCCCCCCCN.N#N
InChIInChI=1S/C8H19N.N2/c1-2-3-4-5-6-7-8-9;1-2/h2-9H2,1H3;
InChIKeyOWABWLNCAWJBPB-UHFFFAOYSA-N
XLogP2.34
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

molecular nitrogen;nonan-1-amine
CID 174563205
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
octadecan-1-amine;titanium
CID 174493472
decane;decane-1,10-diamine;methanediamine
CID 158649191
tetracosan-1-amine;hydrobromide
CID 175600580
octadecan-1-amine;trihydrochloride
CID 175177898
nonan-1-amine;dihydrate
CID 174770026
copper;hexan-1-amine
CID 87269039

Frequently Asked Questions

What is the IUPAC name of molecular nitrogen;octan-1-amine?
The IUPAC name of molecular nitrogen;octan-1-amine (CID 174577899) is molecular nitrogen;octan-1-amine.
What is the SMILES notation for molecular nitrogen;octan-1-amine?
The canonical SMILES for molecular nitrogen;octan-1-amine is CCCCCCCCN.N#N.
What is the InChIKey of molecular nitrogen;octan-1-amine?
The InChIKey is OWABWLNCAWJBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.N2/c1-2-3-4-5-6-7-8-9;1-2/h2-9H2,1H3;.
What are the key properties of molecular nitrogen;octan-1-amine?
molecular nitrogen;octan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular nitrogen;octan-1-amine is sourced from PubChem (CID 174577899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).