2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine

C15H32N2O — CID 82744320

IUPAC2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(C)C1CCOC1C
InChIInChI=1S/C15H32N2O/c1-6-9-16-11-15(4,7-2)12-17(5)14-8-10-18-13(14)3/h13-14,16H,6-12H2,1-5H3
InChIKeyFZXUXAJKTOBBEH-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About 2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine

2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine (PubChem CID 82744320) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine
PubChem CID82744320
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(C)C1CCOC1C
InChIInChI=1S/C15H32N2O/c1-6-9-16-11-15(4,7-2)12-17(5)14-8-10-18-13(14)3/h13-14,16H,6-12H2,1-5H3
InChIKeyFZXUXAJKTOBBEH-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
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-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine
CID 82744324
N,2,2-triethyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82743290
N',2,2-trimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718331
N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine
CID 82741920
N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 55051396
1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
CID 82735550
2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 82749198
2,2-difluoro-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 165467125
N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 64520870
2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 106803917
2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82743702
N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744178

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine (CID 82744320) is 2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine is CCCNCC(C)(CC)CN(C)C1CCOC1C.
What is the InChIKey of 2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is FZXUXAJKTOBBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-9-16-11-15(4,7-2)12-17(5)14-8-10-18-13(14)3/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine?
2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 82744320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).