N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine

C13H28N2O — CID 82754356

IUPACN-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
SMILESCN(CCCCNC(C)(C)C)C1CCOC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)14-8-5-6-9-15(4)12-7-10-16-11-12/h12,14H,5-11H2,1-4H3
InChIKeyKGPUDSRZIOWZRY-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds6

About N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine

N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine (PubChem CID 82754356) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
PubChem CID82754356
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
SMILESCN(CCCCNC(C)(C)C)C1CCOC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)14-8-5-6-9-15(4)12-7-10-16-11-12/h12,14H,5-11H2,1-4H3
InChIKeyKGPUDSRZIOWZRY-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine (CID 82754356) is N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine is CN(CCCCNC(C)(C)C)C1CCOC1.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine?
The InChIKey is KGPUDSRZIOWZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)14-8-5-6-9-15(4)12-7-10-16-11-12/h12,14H,5-11H2,1-4H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine?
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine is sourced from PubChem (CID 82754356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).