1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine

C15H26N2O — CID 114041232

IUPAC1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine
SMILESCCC(CC)N(CCOC)c1cccc(C)c1N
InChIInChI=1S/C15H26N2O/c1-5-13(6-2)17(10-11-18-4)14-9-7-8-12(3)15(14)16/h7-9,13H,5-6,10-11,16H2,1-4H3
InChIKeyRKDJRRQDNLOBRW-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.22
Rot. Bonds7

About 1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine

1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine (PubChem CID 114041232) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine
PubChem CID114041232
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine
SMILESCCC(CC)N(CCOC)c1cccc(C)c1N
InChIInChI=1S/C15H26N2O/c1-5-13(6-2)17(10-11-18-4)14-9-7-8-12(3)15(14)16/h7-9,13H,5-6,10-11,16H2,1-4H3
InChIKeyRKDJRRQDNLOBRW-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 63816723
2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 55004666
2-[2-methoxyethyl(pentan-3-yl)amino]-3-methylbenzenecarboximidamide
CID 107110158
2-bromo-6-[2-methoxyethyl(pentan-3-yl)amino]benzonitrile
CID 114880843
4-bromo-2-N-(2-methoxyethyl)-2-N-pentan-3-ylbenzene-1,2-diamine
CID 65342498
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine
CID 55004103
3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide
CID 115934610
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 63734628
2-[2-methoxyethyl(pentan-3-yl)amino]-5-methylbenzenecarboximidamide
CID 107930430
ethyl 2-amino-3-[2-hydroxyethyl(pentan-3-yl)amino]benzoate
CID 115545495
2-N-(2-methoxyethyl)-5-methyl-2-N-pentan-3-ylpyridine-2,4-diamine
CID 83265340
1-N-(2-methoxyethyl)-3-methylsulfonyl-1-N-propan-2-ylbenzene-1,2-diamine
CID 82948630

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine (CID 114041232) is 1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine is CCC(CC)N(CCOC)c1cccc(C)c1N.
What is the InChIKey of 1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine?
The InChIKey is RKDJRRQDNLOBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-13(6-2)17(10-11-18-4)14-9-7-8-12(3)15(14)16/h7-9,13H,5-6,10-11,16H2,1-4H3.
What are the key properties of 1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine?
1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine is sourced from PubChem (CID 114041232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).