3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine

C13H28N2 — CID 115135098

IUPAC3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine
SMILESCC(C)(CCN)NCC(C)(C)C1CCC1
InChIInChI=1S/C13H28N2/c1-12(2,11-6-5-7-11)10-15-13(3,4)8-9-14/h11,15H,5-10,14H2,1-4H3
InChIKeyGLZIKWNJOCUNPD-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.53
Rot. Bonds6

About 3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine

3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine (PubChem CID 115135098) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine
PubChem CID115135098
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine
SMILESCC(C)(CCN)NCC(C)(C)C1CCC1
InChIInChI=1S/C13H28N2/c1-12(2,11-6-5-7-11)10-15-13(3,4)8-9-14/h11,15H,5-10,14H2,1-4H3
InChIKeyGLZIKWNJOCUNPD-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine (CID 115135098) is 3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine is CC(C)(CCN)NCC(C)(C)C1CCC1.
What is the InChIKey of 3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine?
The InChIKey is GLZIKWNJOCUNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(2,11-6-5-7-11)10-15-13(3,4)8-9-14/h11,15H,5-10,14H2,1-4H3.
What are the key properties of 3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine?
3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine is sourced from PubChem (CID 115135098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).