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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine
CID 82732716
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82733160
N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 82732511
1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114937259
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114843364
N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 82734575
N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739891
N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine
CID 82733792
N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 55005212
N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82734580
1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82733107
2-N-methyl-2-N-(2-methyloxolan-3-yl)pentane-2,3-diamine
CID 82734283

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).