dodecan-1-amine;hydroxylamine

C12H30N2O — CID 175960605

IUPACdodecan-1-amine;hydroxylamine
SMILESCCCCCCCCCCCCN.NO
InChIInChI=1S/C12H27N.H3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2/h2-13H2,1H3;2H,1H2
InChIKeyFUYKASSBAGNDNO-UHFFFAOYSA-N
MW218.38 g/mol
LogP3.20
Rot. Bonds10

About dodecan-1-amine;hydroxylamine

dodecan-1-amine;hydroxylamine (PubChem CID 175960605) has the molecular formula C12H30N2O and a molecular weight of 218.38 g/mol. Its IUPAC name is dodecan-1-amine;hydroxylamine.

Molecular Properties

Compound Namedodecan-1-amine;hydroxylamine
PubChem CID175960605
Molecular FormulaC12H30N2O
Molecular Weight218.38 g/mol
Exact Mass218.24
IUPAC Namedodecan-1-amine;hydroxylamine
SMILESCCCCCCCCCCCCN.NO
InChIInChI=1S/C12H27N.H3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2/h2-13H2,1H3;2H,1H2
InChIKeyFUYKASSBAGNDNO-UHFFFAOYSA-N
XLogP3.20
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
octadecan-1-amine;trihydrochloride
CID 175177898
nonan-1-amine;dihydrate
CID 174770026
copper;hexan-1-amine
CID 87269039
pentadecan-1-amine;hydrobromide
CID 173087623

Frequently Asked Questions

What is the IUPAC name of dodecan-1-amine;hydroxylamine?
The IUPAC name of dodecan-1-amine;hydroxylamine (CID 175960605) is dodecan-1-amine;hydroxylamine.
What is the SMILES notation for dodecan-1-amine;hydroxylamine?
The canonical SMILES for dodecan-1-amine;hydroxylamine is CCCCCCCCCCCCN.NO.
What is the InChIKey of dodecan-1-amine;hydroxylamine?
The InChIKey is FUYKASSBAGNDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.H3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2/h2-13H2,1H3;2H,1H2.
What are the key properties of dodecan-1-amine;hydroxylamine?
dodecan-1-amine;hydroxylamine has a molecular weight of 218.38 g/mol, XLogP of 3.20, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-amine;hydroxylamine is sourced from PubChem (CID 175960605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).