1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine

C15H34N2 — CID 19830431

IUPAC1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine
SMILESCCCC(C)(C)NC(CC)NC(C)(C)CCC
InChIInChI=1S/C15H34N2/c1-8-11-14(4,5)16-13(10-3)17-15(6,7)12-9-2/h13,16-17H,8-12H2,1-7H3
InChIKeyAZODYAYNOGRNME-UHFFFAOYSA-N
MW242.45 g/mol
LogP4.06
Rot. Bonds9

About 1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine

1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine (PubChem CID 19830431) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine
PubChem CID19830431
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine
SMILESCCCC(C)(C)NC(CC)NC(C)(C)CCC
InChIInChI=1S/C15H34N2/c1-8-11-14(4,5)16-13(10-3)17-15(6,7)12-9-2/h13,16-17H,8-12H2,1-7H3
InChIKeyAZODYAYNOGRNME-UHFFFAOYSA-N
XLogP4.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine (CID 19830431) is 1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine is CCCC(C)(C)NC(CC)NC(C)(C)CCC.
What is the InChIKey of 1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine?
The InChIKey is AZODYAYNOGRNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-8-11-14(4,5)16-13(10-3)17-15(6,7)12-9-2/h13,16-17H,8-12H2,1-7H3.
What are the key properties of 1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine?
1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine has a molecular weight of 242.45 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(2-methylpentan-2-yl)propane-1,1-diamine is sourced from PubChem (CID 19830431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).