N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine

C14H30N2O — CID 113352479

IUPACN-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC1CC(C)OC(C)C1
InChIInChI=1S/C14H30N2O/c1-5-8-16(6-2)9-7-15-14-10-12(3)17-13(4)11-14/h12-15H,5-11H2,1-4H3
InChIKeyULDIXMVQUGOABV-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.26
Rot. Bonds7

About N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine

N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine (PubChem CID 113352479) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
PubChem CID113352479
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC1CC(C)OC(C)C1
InChIInChI=1S/C14H30N2O/c1-5-8-16(6-2)9-7-15-14-10-12(3)17-13(4)11-14/h12-15H,5-11H2,1-4H3
InChIKeyULDIXMVQUGOABV-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
CID 60867670
N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine
CID 115904659
N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine
CID 115907336
N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine
CID 62575467
5-[(2,6-dimethyloxan-4-yl)amino]pentanenitrile
CID 115906976
N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63691083
N'-(cyclopropylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63938742
4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol
CID 75525282
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
tert-butyl 3-[2-[ethyl(propyl)amino]ethylamino]azetidine-1-carboxylate
CID 102672504
N-cyclopropyl-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61446699
N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 107402187

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine (CID 113352479) is N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine is CCCN(CC)CCNC1CC(C)OC(C)C1.
What is the InChIKey of N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The InChIKey is ULDIXMVQUGOABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-8-16(6-2)9-7-15-14-10-12(3)17-13(4)11-14/h12-15H,5-11H2,1-4H3.
What are the key properties of N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 113352479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).