N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine

C14H31N3O — CID 102992372

IUPACN'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)CC(NC)C1CCOC1
InChIInChI=1S/C14H31N3O/c1-5-17(9-6-8-16(3)4)11-14(15-2)13-7-10-18-12-13/h13-15H,5-12H2,1-4H3
InChIKeyOMBLMXJRFOWYEW-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.88
Rot. Bonds9

About N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine

N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine (PubChem CID 102992372) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine
PubChem CID102992372
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)CC(NC)C1CCOC1
InChIInChI=1S/C14H31N3O/c1-5-17(9-6-8-16(3)4)11-14(15-2)13-7-10-18-12-13/h13-15H,5-12H2,1-4H3
InChIKeyOMBLMXJRFOWYEW-UHFFFAOYSA-N
XLogP0.88
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745249
N'-[2-cyclopropyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992594
N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992550
N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745390
N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169
1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol
CID 102996311
N,N',N'-triethyl-1-(oxolan-3-yl)propane-1,3-diamine
CID 79087913
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745513
1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 104744662
N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 115704238
N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 103061096
3-ethyl-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 82923243

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine (CID 102992372) is N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine is CCN(CCCN(C)C)CC(NC)C1CCOC1.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine?
The InChIKey is OMBLMXJRFOWYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-17(9-6-8-16(3)4)11-14(15-2)13-7-10-18-12-13/h13-15H,5-12H2,1-4H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine?
N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine has a molecular weight of 257.42 g/mol, XLogP of 0.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 102992372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).