N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine

C13H28N2O — CID 116520932

IUPACN'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)CC1CCC(C)(C)O1
InChIInChI=1S/C13H28N2O/c1-11(2)15(9-5-8-14)10-12-6-7-13(3,4)16-12/h11-12H,5-10,14H2,1-4H3
InChIKeyXOCDDCCBNOMJIG-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.00
Rot. Bonds6

About N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine

N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 116520932) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
PubChem CID116520932
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)CC1CCC(C)(C)O1
InChIInChI=1S/C13H28N2O/c1-11(2)15(9-5-8-14)10-12-6-7-13(3,4)16-12/h11-12H,5-10,14H2,1-4H3
InChIKeyXOCDDCCBNOMJIG-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 116520965
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 116522909
2-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-N-methylpropane-1,2-diamine
CID 116524100
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614880
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 116520960
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]pentan-3-amine
CID 116523973
1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol
CID 116523432
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-1-ol
CID 116523454
3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol
CID 116523456
3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile
CID 116521807
4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 116524277

Frequently Asked Questions

What is the IUPAC name of N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine (CID 116520932) is N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(CCCN)CC1CCC(C)(C)O1.
What is the InChIKey of N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is XOCDDCCBNOMJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)15(9-5-8-14)10-12-6-7-13(3,4)16-12/h11-12H,5-10,14H2,1-4H3.
What are the key properties of N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116520932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).