2-deuteriononan-1-amine

C9H21N — CID 10820665

IUPAC2-deuteriononan-1-amine
SMILES[2H]C(CN)CCCCCCC
InChIInChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3/i8D
InChIKeyFJDUDHYHRVPMJZ-BNEYPBHNSA-N
MW144.28 g/mol
LogP2.70
Rot. Bonds7

About 2-deuteriononan-1-amine

2-deuteriononan-1-amine (PubChem CID 10820665) has the molecular formula C9H21N and a molecular weight of 144.28 g/mol. Its IUPAC name is 2-deuteriononan-1-amine.

Molecular Properties

Compound Name2-deuteriononan-1-amine
PubChem CID10820665
Molecular FormulaC9H21N
Molecular Weight144.28 g/mol
Exact Mass144.17
IUPAC Name2-deuteriononan-1-amine
SMILES[2H]C(CN)CCCCCCC
InChIInChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3/i8D
InChIKeyFJDUDHYHRVPMJZ-BNEYPBHNSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-deuteriononan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dideuteriononane
CID 172688950
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;titanium
CID 174493472
dodecan-1-amine;methane
CID 87204504
CID 158863549
CID 158863549
ethane;heptane;propane-1,3-diamine
CID 157305381

Frequently Asked Questions

What is the IUPAC name of 2-deuteriononan-1-amine?
The IUPAC name of 2-deuteriononan-1-amine (CID 10820665) is 2-deuteriononan-1-amine.
What is the SMILES notation for 2-deuteriononan-1-amine?
The canonical SMILES for 2-deuteriononan-1-amine is [2H]C(CN)CCCCCCC.
What is the InChIKey of 2-deuteriononan-1-amine?
The InChIKey is FJDUDHYHRVPMJZ-BNEYPBHNSA-N. The full InChI is InChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3/i8D.
What are the key properties of 2-deuteriononan-1-amine?
2-deuteriononan-1-amine has a molecular weight of 144.28 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuteriononan-1-amine is sourced from PubChem (CID 10820665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).