11-methyldodecane-1,11-diamine;propane

C16H38N2 — CID 145179809

IUPAC11-methyldodecane-1,11-diamine;propane
SMILESCC(C)(N)CCCCCCCCCCN.CCC
InChIInChI=1S/C13H30N2.C3H8/c1-13(2,15)11-9-7-5-3-4-6-8-10-12-14;1-3-2/h3-12,14-15H2,1-2H3;3H2,1-2H3
InChIKeyIKNVZVWMHMEAHR-UHFFFAOYSA-N
MW258.49 g/mol
LogP4.61
Rot. Bonds10

About 11-methyldodecane-1,11-diamine;propane

11-methyldodecane-1,11-diamine;propane (PubChem CID 145179809) has the molecular formula C16H38N2 and a molecular weight of 258.49 g/mol. Its IUPAC name is 11-methyldodecane-1,11-diamine;propane.

Molecular Properties

Compound Name11-methyldodecane-1,11-diamine;propane
PubChem CID145179809
Molecular FormulaC16H38N2
Molecular Weight258.49 g/mol
Exact Mass258.30
IUPAC Name11-methyldodecane-1,11-diamine;propane
SMILESCC(C)(N)CCCCCCCCCCN.CCC
InChIInChI=1S/C13H30N2.C3H8/c1-13(2,15)11-9-7-5-3-4-6-8-10-12-14;1-3-2/h3-12,14-15H2,1-2H3;3H2,1-2H3
InChIKeyIKNVZVWMHMEAHR-UHFFFAOYSA-N
XLogP4.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.49
LogP ≤ 54.61
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

2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
12,12-dimethyltridecan-1-amine
CID 87103604
18,18-dimethylnonadecan-1-amine
CID 53249240
hexane-1,5,5-triamine
CID 23298659
18,18-dimethylnonadecan-1-amine;hydrofluoride
CID 173042311
7-(5-aminopentyl)tridecane-1,7,13-triamine
CID 135263766
18,18-diethylicosan-1-amine
CID 87504312
CID 160729242
CID 160729242

Frequently Asked Questions

What is the IUPAC name of 11-methyldodecane-1,11-diamine;propane?
The IUPAC name of 11-methyldodecane-1,11-diamine;propane (CID 145179809) is 11-methyldodecane-1,11-diamine;propane.
What is the SMILES notation for 11-methyldodecane-1,11-diamine;propane?
The canonical SMILES for 11-methyldodecane-1,11-diamine;propane is CC(C)(N)CCCCCCCCCCN.CCC.
What is the InChIKey of 11-methyldodecane-1,11-diamine;propane?
The InChIKey is IKNVZVWMHMEAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2.C3H8/c1-13(2,15)11-9-7-5-3-4-6-8-10-12-14;1-3-2/h3-12,14-15H2,1-2H3;3H2,1-2H3.
What are the key properties of 11-methyldodecane-1,11-diamine;propane?
11-methyldodecane-1,11-diamine;propane has a molecular weight of 258.49 g/mol, XLogP of 4.61, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyldodecane-1,11-diamine;propane is sourced from PubChem (CID 145179809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).