decane;methanamine

C12H32N2 — CID 159574300

IUPACdecane;methanamine
SMILESCCCCCCCCCC.CN.CN
InChIInChI=1S/C10H22.2CH5N/c1-3-5-7-9-10-8-6-4-2;2*1-2/h3-10H2,1-2H3;2*2H2,1H3
InChIKeyMIFAAPAUAHJIIU-UHFFFAOYSA-N
MW204.40 g/mol
LogP3.30
Rot. Bonds7

About decane;methanamine

decane;methanamine (PubChem CID 159574300) has the molecular formula C12H32N2 and a molecular weight of 204.40 g/mol. Its IUPAC name is decane;methanamine.

Molecular Properties

Compound Namedecane;methanamine
PubChem CID159574300
Molecular FormulaC12H32N2
Molecular Weight204.40 g/mol
Exact Mass204.26
IUPAC Namedecane;methanamine
SMILESCCCCCCCCCC.CN.CN
InChIInChI=1S/C10H22.2CH5N/c1-3-5-7-9-10-8-6-4-2;2*1-2/h3-10H2,1-2H3;2*2H2,1H3
InChIKeyMIFAAPAUAHJIIU-UHFFFAOYSA-N
XLogP3.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanamine;tris(octane)
CID 173014836
methanamine;octane
CID 174301406
methanamine;nonane
CID 155694820
hexadecane;methanamine;hydrobromide
CID 175276433
heptadecane;hydrazine
CID 174880698
hydrazine;pentadecane
CID 174880620
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of decane;methanamine?
The IUPAC name of decane;methanamine (CID 159574300) is decane;methanamine.
What is the SMILES notation for decane;methanamine?
The canonical SMILES for decane;methanamine is CCCCCCCCCC.CN.CN.
What is the InChIKey of decane;methanamine?
The InChIKey is MIFAAPAUAHJIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.2CH5N/c1-3-5-7-9-10-8-6-4-2;2*1-2/h3-10H2,1-2H3;2*2H2,1H3.
What are the key properties of decane;methanamine?
decane;methanamine has a molecular weight of 204.40 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decane;methanamine is sourced from PubChem (CID 159574300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).