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

C14H30N2O — CID 116520965

IUPACN'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(CCCN)CC1CCC(C)(C)O1
InChIInChI=1S/C14H30N2O/c1-12(2)10-16(9-5-8-15)11-13-6-7-14(3,4)17-13/h12-13H,5-11,15H2,1-4H3
InChIKeySRDKEOCGGWQVJI-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds7

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

N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 116520965) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID116520965
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(CCCN)CC1CCC(C)(C)O1
InChIInChI=1S/C14H30N2O/c1-12(2)10-16(9-5-8-15)11-13-6-7-14(3,4)17-13/h12-13H,5-11,15H2,1-4H3
InChIKeySRDKEOCGGWQVJI-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 116520932
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 116520960
3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol
CID 116523456
2-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-N-methylpropane-1,2-diamine
CID 116524100
1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol
CID 116523432
N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 86269595
N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 83155603
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile
CID 116521807
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-1-ol
CID 116523454
N',N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 3723368
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 116522907

Frequently Asked Questions

What is the IUPAC name of N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine (CID 116520965) is N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine is CC(C)CN(CCCN)CC1CCC(C)(C)O1.
What is the InChIKey of N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is SRDKEOCGGWQVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)10-16(9-5-8-15)11-13-6-7-14(3,4)17-13/h12-13H,5-11,15H2,1-4H3.
What are the key properties of N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 7 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'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 116520965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).