2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine

C13H28N2O — CID 62432388

IUPAC2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CNC(C)C)N(C)C1CCOCC1
InChIInChI=1S/C13H28N2O/c1-5-12(10-14-11(2)3)15(4)13-6-8-16-9-7-13/h11-14H,5-10H2,1-4H3
InChIKeyMRSHDGQMXMYNJJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds6

About 2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine

2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 62432388) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID62432388
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CNC(C)C)N(C)C1CCOCC1
InChIInChI=1S/C13H28N2O/c1-5-12(10-14-11(2)3)15(4)13-6-8-16-9-7-13/h11-14H,5-10H2,1-4H3
InChIKeyMRSHDGQMXMYNJJ-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103227138
2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82754425
2-N-cyclohexyl-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83043219
2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine
CID 83054828
3-[methyl(oxan-4-yl)amino]pentanimidamide
CID 43611267
2-N-cyclopropyl-2-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62429365
1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine
CID 79409675
N-methyl-N-(3-methylbutan-2-yl)oxan-4-amine
CID 130651987
2-N-methyl-2-N-(3-methylcyclohexyl)-1-N-propan-2-ylpentane-1,2-diamine
CID 83054287
2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 103226992
N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 82754002
2-ethyl-N,2-dimethyl-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 62257896

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine (CID 62432388) is 2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine is CCC(CNC(C)C)N(C)C1CCOCC1.
What is the InChIKey of 2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is MRSHDGQMXMYNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-12(10-14-11(2)3)15(4)13-6-8-16-9-7-13/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine?
2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 62432388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).