N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

C17H28N2O — CID 82734785

IUPACN-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(C(CN)N(C)C2CCOC2C)cc1
InChIInChI=1S/C17H28N2O/c1-12(2)14-5-7-15(8-6-14)17(11-18)19(4)16-9-10-20-13(16)3/h5-8,12-13,16-17H,9-11,18H2,1-4H3
InChIKeyVOPXRWGDWSXABB-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.92
Rot. Bonds5

About N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 82734785) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID82734785
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(C(CN)N(C)C2CCOC2C)cc1
InChIInChI=1S/C17H28N2O/c1-12(2)14-5-7-15(8-6-14)17(11-18)19(4)16-9-10-20-13(16)3/h5-8,12-13,16-17H,9-11,18H2,1-4H3
InChIKeyVOPXRWGDWSXABB-UHFFFAOYSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 82734785) is N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is CC(C)c1ccc(C(CN)N(C)C2CCOC2C)cc1.
What is the InChIKey of N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is VOPXRWGDWSXABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)14-5-7-15(8-6-14)17(11-18)19(4)16-9-10-20-13(16)3/h5-8,12-13,16-17H,9-11,18H2,1-4H3.
What are the key properties of N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 82734785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).