3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine

C15H26N2O — CID 115377786

IUPAC3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine
SMILESCC(C)CCOCCNc1cccc(N(C)C)c1
InChIInChI=1S/C15H26N2O/c1-13(2)8-10-18-11-9-16-14-6-5-7-15(12-14)17(3)4/h5-7,12-13,16H,8-11H2,1-4H3
InChIKeyLMXRBPZSMCZBSR-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.23
Rot. Bonds8

About 3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine

3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine (PubChem CID 115377786) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine
PubChem CID115377786
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine
SMILESCC(C)CCOCCNc1cccc(N(C)C)c1
InChIInChI=1S/C15H26N2O/c1-13(2)8-10-18-11-9-16-14-6-5-7-15(12-14)17(3)4/h5-7,12-13,16H,8-11H2,1-4H3
InChIKeyLMXRBPZSMCZBSR-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 103179316
3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine
CID 115377712
3,4-dichloro-N-[2-(3-methylbutoxy)ethyl]aniline
CID 63490012
1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115377842
3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine
CID 114281857
methyl 3-[3-(dimethylamino)anilino]propanoate
CID 80504001
3-N,3-N-dimethyl-1-N-pent-3-ynylbenzene-1,3-diamine
CID 104807429
3-N,3-N-dimethyl-1-N-(4,4,4-trifluorobutyl)benzene-1,3-diamine
CID 113326394
1-N-[(E)-but-2-enyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 107899162
1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 115377776
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine
CID 61483583
2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine
CID 80820194

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine (CID 115377786) is 3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine is CC(C)CCOCCNc1cccc(N(C)C)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine?
The InChIKey is LMXRBPZSMCZBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(2)8-10-18-11-9-16-14-6-5-7-15(12-14)17(3)4/h5-7,12-13,16H,8-11H2,1-4H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine is sourced from PubChem (CID 115377786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).