molecular nitrogen;nonan-1-amine

C9H21N3 — CID 174563205

IUPACmolecular nitrogen;nonan-1-amine
SMILESCCCCCCCCCN.N#N
InChIInChI=1S/C9H21N.N2/c1-2-3-4-5-6-7-8-9-10;1-2/h2-10H2,1H3;
InChIKeyQAFZJINBDRNELI-UHFFFAOYSA-N
MW171.29 g/mol
LogP2.73
Rot. Bonds7

About molecular nitrogen;nonan-1-amine

molecular nitrogen;nonan-1-amine (PubChem CID 174563205) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is molecular nitrogen;nonan-1-amine.

Molecular Properties

Compound Namemolecular nitrogen;nonan-1-amine
PubChem CID174563205
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Namemolecular nitrogen;nonan-1-amine
SMILESCCCCCCCCCN.N#N
InChIInChI=1S/C9H21N.N2/c1-2-3-4-5-6-7-8-9-10;1-2/h2-10H2,1H3;
InChIKeyQAFZJINBDRNELI-UHFFFAOYSA-N
XLogP2.73
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 52.73
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;octan-1-amine
CID 174577899
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;nonan-1-amine?
The IUPAC name of molecular nitrogen;nonan-1-amine (CID 174563205) is molecular nitrogen;nonan-1-amine.
What is the SMILES notation for molecular nitrogen;nonan-1-amine?
The canonical SMILES for molecular nitrogen;nonan-1-amine is CCCCCCCCCN.N#N.
What is the InChIKey of molecular nitrogen;nonan-1-amine?
The InChIKey is QAFZJINBDRNELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.N2/c1-2-3-4-5-6-7-8-9-10;1-2/h2-10H2,1H3;.
What are the key properties of molecular nitrogen;nonan-1-amine?
molecular nitrogen;nonan-1-amine has a molecular weight of 171.29 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular nitrogen;nonan-1-amine is sourced from PubChem (CID 174563205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).