N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C15H33N3O — CID 102991942

IUPACN'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C1(CN)CC(C)OC(C)C1
InChIInChI=1S/C15H33N3O/c1-6-18(9-7-8-17(4)5)15(12-16)10-13(2)19-14(3)11-15/h13-14H,6-12,16H2,1-5H3
InChIKeyWDFJZDVGUVJZEM-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.54
Rot. Bonds7

About N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102991942) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102991942
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC NameN'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C1(CN)CC(C)OC(C)C1
InChIInChI=1S/C15H33N3O/c1-6-18(9-7-8-17(4)5)15(12-16)10-13(2)19-14(3)11-15/h13-14H,6-12,16H2,1-5H3
InChIKeyWDFJZDVGUVJZEM-UHFFFAOYSA-N
XLogP1.54
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102991942) is N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)C1(CN)CC(C)OC(C)C1.
What is the InChIKey of N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is WDFJZDVGUVJZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-6-18(9-7-8-17(4)5)15(12-16)10-13(2)19-14(3)11-15/h13-14H,6-12,16H2,1-5H3.
What are the key properties of N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 271.45 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102991942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).