decan-1-amine;formic acid

C11H25NO2 — CID 157494086

IUPACdecan-1-amine;formic acid
SMILESCCCCCCCCCCN.O=CO
InChIInChI=1S/C10H23N.CH2O2/c1-2-3-4-5-6-7-8-9-10-11;2-1-3/h2-11H2,1H3;1H,(H,2,3)
InChIKeyBXPQWAHFQDUNSA-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.79
Rot. Bonds8

About decan-1-amine;formic acid

decan-1-amine;formic acid (PubChem CID 157494086) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is decan-1-amine;formic acid.

Molecular Properties

Compound Namedecan-1-amine;formic acid
PubChem CID157494086
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Namedecan-1-amine;formic acid
SMILESCCCCCCCCCCN.O=CO
InChIInChI=1S/C10H23N.CH2O2/c1-2-3-4-5-6-7-8-9-10-11;2-1-3/h2-11H2,1H3;1H,(H,2,3)
InChIKeyBXPQWAHFQDUNSA-UHFFFAOYSA-N
XLogP2.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

formic acid;heptan-1-amine
CID 144828464
decan-1-amine;decane-1,1-diamine;formic acid
CID 175555484
dihydroxy(oxo)silane;bis(octadecan-1-amine)
CID 173216664
nonan-1-amine;peroxyformic acid
CID 172825043
dodecan-1-amine;hydroxylamine
CID 175960605
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;bis(prop-1-en-1-ol)
CID 157281865
hexadecan-1-amine;propan-2-one
CID 175396285

Frequently Asked Questions

What is the IUPAC name of decan-1-amine;formic acid?
The IUPAC name of decan-1-amine;formic acid (CID 157494086) is decan-1-amine;formic acid.
What is the SMILES notation for decan-1-amine;formic acid?
The canonical SMILES for decan-1-amine;formic acid is CCCCCCCCCCN.O=CO.
What is the InChIKey of decan-1-amine;formic acid?
The InChIKey is BXPQWAHFQDUNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.CH2O2/c1-2-3-4-5-6-7-8-9-10-11;2-1-3/h2-11H2,1H3;1H,(H,2,3).
What are the key properties of decan-1-amine;formic acid?
decan-1-amine;formic acid has a molecular weight of 203.33 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-amine;formic acid is sourced from PubChem (CID 157494086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).