N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine

C14H30N2O2 — CID 82754362

IUPACN-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCCOCCCCNCCN(C)C1CCOC1C
InChIInChI=1S/C14H30N2O2/c1-4-17-11-6-5-8-15-9-10-16(3)14-7-12-18-13(14)2/h13-15H,4-12H2,1-3H3
InChIKeyANBFBODXKKLDRJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.50
Rot. Bonds10

About N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine

N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine (PubChem CID 82754362) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
PubChem CID82754362
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCCOCCCCNCCN(C)C1CCOC1C
InChIInChI=1S/C14H30N2O2/c1-4-17-11-6-5-8-15-9-10-16(3)14-7-12-18-13(14)2/h13-15H,4-12H2,1-3H3
InChIKeyANBFBODXKKLDRJ-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754980
N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754548
N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82734841
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 115778219
1-ethoxy-3-[methyl-(2-methyloxolan-3-yl)amino]propan-2-ol
CID 82748351
N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754461
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
N-(furan-3-ylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754097
1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
CID 82735550
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine
CID 82734709

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine (CID 82754362) is N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine is CCOCCCCNCCN(C)C1CCOC1C.
What is the InChIKey of N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The InChIKey is ANBFBODXKKLDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-17-11-6-5-8-15-9-10-16(3)14-7-12-18-13(14)2/h13-15H,4-12H2,1-3H3.
What are the key properties of N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine?
N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 1.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82754362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).