dodecan-1-amine;methane

C13H31N — CID 87204504

IUPACdodecan-1-amine;methane
SMILESC.CCCCCCCCCCCCN
InChIInChI=1S/C12H27N.CH4/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H4
InChIKeyMUIJMPTYTPGBLY-UHFFFAOYSA-N
MW201.40 g/mol
LogP4.50
Rot. Bonds10

About dodecan-1-amine;methane

dodecan-1-amine;methane (PubChem CID 87204504) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is dodecan-1-amine;methane.

Molecular Properties

Compound Namedodecan-1-amine;methane
PubChem CID87204504
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC Namedodecan-1-amine;methane
SMILESC.CCCCCCCCCCCCN
InChIInChI=1S/C12H27N.CH4/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H4
InChIKeyMUIJMPTYTPGBLY-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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;methane?
The IUPAC name of dodecan-1-amine;methane (CID 87204504) is dodecan-1-amine;methane.
What is the SMILES notation for dodecan-1-amine;methane?
The canonical SMILES for dodecan-1-amine;methane is C.CCCCCCCCCCCCN.
What is the InChIKey of dodecan-1-amine;methane?
The InChIKey is MUIJMPTYTPGBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.CH4/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H4.
What are the key properties of dodecan-1-amine;methane?
dodecan-1-amine;methane has a molecular weight of 201.40 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-amine;methane is sourced from PubChem (CID 87204504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).