N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine

C11H25N3O — CID 66264505

IUPACN'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1(C)COCC1N
InChIInChI=1S/C11H25N3O/c1-11(9-15-7-10(11)12)8-14(4)6-5-13(2)3/h10H,5-9,12H2,1-4H3
InChIKeyMRYZQHMGFGATFC-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.16
Rot. Bonds5

About N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 66264505) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID66264505
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1(C)COCC1N
InChIInChI=1S/C11H25N3O/c1-11(9-15-7-10(11)12)8-14(4)6-5-13(2)3/h10H,5-9,12H2,1-4H3
InChIKeyMRYZQHMGFGATFC-UHFFFAOYSA-N
XLogP-0.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 66264505) is N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CC1(C)COCC1N.
What is the InChIKey of N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is MRYZQHMGFGATFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-11(9-15-7-10(11)12)8-14(4)6-5-13(2)3/h10H,5-9,12H2,1-4H3.
What are the key properties of N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 215.34 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 66264505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).