3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine

C17H30N2O — CID 80730138

IUPAC3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCC(C)CN(CC(C)C)c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C17H30N2O/c1-12(2)10-19(11-13(3)4)16-7-15(18)8-17(9-16)20-14(5)6/h7-9,12-14H,10-11,18H2,1-6H3
InChIKeyZFMINCFKQZXZEB-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.17
Rot. Bonds7

About 3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine

3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine (PubChem CID 80730138) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
PubChem CID80730138
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCC(C)CN(CC(C)C)c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C17H30N2O/c1-12(2)10-19(11-13(3)4)16-7-15(18)8-17(9-16)20-14(5)6/h7-9,12-14H,10-11,18H2,1-6H3
InChIKeyZFMINCFKQZXZEB-UHFFFAOYSA-N
XLogP4.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-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

2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide
CID 80739194
3-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]propanenitrile
CID 80738390
3-N-ethyl-3-N-(2-ethylbutyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80731502
3-N,3-N-bis(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80730638
2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol
CID 80730244
3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80722610
1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol
CID 80734941
3-N-[3-(dimethylamino)propyl]-3-N-ethyl-5-propan-2-yloxybenzene-1,3-diamine
CID 102991115
2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide
CID 80730536
3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80731070
2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide
CID 80739279
3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80739720

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine?
The IUPAC name of 3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine (CID 80730138) is 3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine is CC(C)CN(CC(C)C)c1cc(N)cc(OC(C)C)c1.
What is the InChIKey of 3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine?
The InChIKey is ZFMINCFKQZXZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(2)10-19(11-13(3)4)16-7-15(18)8-17(9-16)20-14(5)6/h7-9,12-14H,10-11,18H2,1-6H3.
What are the key properties of 3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine?
3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine is sourced from PubChem (CID 80730138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).