N-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine

C13H28N2O — CID 60850649

IUPACN-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCN(CCCNC(C)(C)C)C1CCOCC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)14-8-5-9-15(4)12-6-10-16-11-7-12/h12,14H,5-11H2,1-4H3
InChIKeyNAZUFEROPUOECF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds5

About N-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine

N-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 60850649) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID60850649
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCN(CCCNC(C)(C)C)C1CCOCC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)14-8-5-9-15(4)12-6-10-16-11-7-12/h12,14H,5-11H2,1-4H3
InChIKeyNAZUFEROPUOECF-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

N-(Propan-2-yl)oxan-4-amine
CID 21709941
N-Methyl-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 43611272
N-(2-aminoethyl)-N-methyloxan-4-amine
CID 43610817
1-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 43608634
N-Propyltetrahydro-2H-pyran-4-amine
CID 18348908
3-fluoro-N-propan-2-yloxan-4-amine
CID 124162760
(3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine
CID 153498427
N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine
CID 158604250
N-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine
CID 166157685
(3R,4S)-3-fluoro-N-propan-2-yloxan-4-amine
CID 169842784
(3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine
CID 177265598
(3R,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine
CID 177265607

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine (CID 60850649) is N-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine is CN(CCCNC(C)(C)C)C1CCOCC1.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is NAZUFEROPUOECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)14-8-5-9-15(4)12-6-10-16-11-7-12/h12,14H,5-11H2,1-4H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
N-tert-butyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 5 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'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 60850649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).