N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

C14H31N3O — CID 55227558

IUPACN'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCNCC1(CN(C)CCCN(C)C)CCOC1
InChIInChI=1S/C14H31N3O/c1-5-15-11-14(7-10-18-13-14)12-17(4)9-6-8-16(2)3/h15H,5-13H2,1-4H3
InChIKeyHIQZAWRPNXOLJJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.89
Rot. Bonds9

About N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 55227558) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID55227558
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCNCC1(CN(C)CCCN(C)C)CCOC1
InChIInChI=1S/C14H31N3O/c1-5-15-11-14(7-10-18-13-14)12-17(4)9-6-8-16(2)3/h15H,5-13H2,1-4H3
InChIKeyHIQZAWRPNXOLJJ-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 55227558) is N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine is CCNCC1(CN(C)CCCN(C)C)CCOC1.
What is the InChIKey of N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is HIQZAWRPNXOLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-15-11-14(7-10-18-13-14)12-17(4)9-6-8-16(2)3/h15H,5-13H2,1-4H3.
What are the key properties of N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 257.42 g/mol, XLogP of 0.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 55227558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).