dodecan-1-amine;1-phosphorosooxyethane

C14H32NO2P — CID 174517277

IUPACdodecan-1-amine;1-phosphorosooxyethane
SMILESCCCCCCCCCCCCN.CCOP=O
InChIInChI=1S/C12H27N.C2H5O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-4-5-3/h2-13H2,1H3;2H2,1H3
InChIKeyAPRAPGRJMMCYHP-UHFFFAOYSA-N
MW277.39 g/mol
LogP5.10
Rot. Bonds12

About dodecan-1-amine;1-phosphorosooxyethane

dodecan-1-amine;1-phosphorosooxyethane (PubChem CID 174517277) has the molecular formula C14H32NO2P and a molecular weight of 277.39 g/mol. Its IUPAC name is dodecan-1-amine;1-phosphorosooxyethane.

Molecular Properties

Compound Namedodecan-1-amine;1-phosphorosooxyethane
PubChem CID174517277
Molecular FormulaC14H32NO2P
Molecular Weight277.39 g/mol
Exact Mass277.22
IUPAC Namedodecan-1-amine;1-phosphorosooxyethane
SMILESCCCCCCCCCCCCN.CCOP=O
InChIInChI=1S/C12H27N.C2H5O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-4-5-3/h2-13H2,1H3;2H2,1H3
InChIKeyAPRAPGRJMMCYHP-UHFFFAOYSA-N
XLogP5.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.39
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191
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;1-phosphorosooxyethane?
The IUPAC name of dodecan-1-amine;1-phosphorosooxyethane (CID 174517277) is dodecan-1-amine;1-phosphorosooxyethane.
What is the SMILES notation for dodecan-1-amine;1-phosphorosooxyethane?
The canonical SMILES for dodecan-1-amine;1-phosphorosooxyethane is CCCCCCCCCCCCN.CCOP=O.
What is the InChIKey of dodecan-1-amine;1-phosphorosooxyethane?
The InChIKey is APRAPGRJMMCYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C2H5O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-4-5-3/h2-13H2,1H3;2H2,1H3.
What are the key properties of dodecan-1-amine;1-phosphorosooxyethane?
dodecan-1-amine;1-phosphorosooxyethane has a molecular weight of 277.39 g/mol, XLogP of 5.10, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-amine;1-phosphorosooxyethane is sourced from PubChem (CID 174517277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).