decane;decane-1,10-diamine;methanediamine

C21H52N4 — CID 158649191

IUPACdecane;decane-1,10-diamine;methanediamine
SMILESCCCCCCCCCC.NCCCCCCCCCCN.NCN
InChIInChI=1S/C10H24N2.C10H22.CH6N2/c11-9-7-5-3-1-2-4-6-8-10-12;1-3-5-7-9-10-8-6-4-2;2-1-3/h1-12H2;3-10H2,1-2H3;1-3H2
InChIKeyIBIKZLHHMFZZIR-UHFFFAOYSA-N
MW360.68 g/mol
LogP5.03
Rot. Bonds16

About decane;decane-1,10-diamine;methanediamine

decane;decane-1,10-diamine;methanediamine (PubChem CID 158649191) has the molecular formula C21H52N4 and a molecular weight of 360.68 g/mol. Its IUPAC name is decane;decane-1,10-diamine;methanediamine.

Molecular Properties

Compound Namedecane;decane-1,10-diamine;methanediamine
PubChem CID158649191
Molecular FormulaC21H52N4
Molecular Weight360.68 g/mol
Exact Mass360.42
IUPAC Namedecane;decane-1,10-diamine;methanediamine
SMILESCCCCCCCCCC.NCCCCCCCCCCN.NCN
InChIInChI=1S/C10H24N2.C10H22.CH6N2/c11-9-7-5-3-1-2-4-6-8-10-12;1-3-5-7-9-10-8-6-4-2;2-1-3/h1-12H2;3-10H2,1-2H3;1-3H2
InChIKeyIBIKZLHHMFZZIR-UHFFFAOYSA-N
XLogP5.03
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.68
LogP ≤ 55.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tridecan-1-amine;undecan-1-amine
CID 23045943
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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
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentadecan-1-amine;hydrobromide
CID 173087623
octadecan-1-amine;hydrate
CID 158026408

Frequently Asked Questions

What is the IUPAC name of decane;decane-1,10-diamine;methanediamine?
The IUPAC name of decane;decane-1,10-diamine;methanediamine (CID 158649191) is decane;decane-1,10-diamine;methanediamine.
What is the SMILES notation for decane;decane-1,10-diamine;methanediamine?
The canonical SMILES for decane;decane-1,10-diamine;methanediamine is CCCCCCCCCC.NCCCCCCCCCCN.NCN.
What is the InChIKey of decane;decane-1,10-diamine;methanediamine?
The InChIKey is IBIKZLHHMFZZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2.C10H22.CH6N2/c11-9-7-5-3-1-2-4-6-8-10-12;1-3-5-7-9-10-8-6-4-2;2-1-3/h1-12H2;3-10H2,1-2H3;1-3H2.
What are the key properties of decane;decane-1,10-diamine;methanediamine?
decane;decane-1,10-diamine;methanediamine has a molecular weight of 360.68 g/mol, XLogP of 5.03, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decane;decane-1,10-diamine;methanediamine is sourced from PubChem (CID 158649191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).