N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine

C14H30N2O — CID 114624051

IUPACN'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine
SMILESCCCCN(CCN)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H30N2O/c1-6-7-9-16(10-8-15)12-11-13(2,3)17-14(12,4)5/h12H,6-11,15H2,1-5H3
InChIKeyRBMFRVPXUFJETH-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.39
Rot. Bonds6

About N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine

N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine (PubChem CID 114624051) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine
PubChem CID114624051
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine
SMILESCCCCN(CCN)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H30N2O/c1-6-7-9-16(10-8-15)12-11-13(2,3)17-14(12,4)5/h12H,6-11,15H2,1-5H3
InChIKeyRBMFRVPXUFJETH-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine
CID 114621228
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
N'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine
CID 114621200
N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine
CID 114621224
2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile
CID 114621271
N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79920705
2,2,5,5-tetramethyl-N-(piperidin-2-ylmethyl)-N-propyloxolan-3-amine
CID 106623281
N'-cyclopropyl-N'-nonylethane-1,2-diamine
CID 61349746
2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol
CID 114242927
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol
CID 114623867
N-ethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 114621879

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine (CID 114624051) is N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine is CCCCN(CCN)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine?
The InChIKey is RBMFRVPXUFJETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-7-9-16(10-8-15)12-11-13(2,3)17-14(12,4)5/h12H,6-11,15H2,1-5H3.
What are the key properties of N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine?
N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 114624051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).