1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine

C14H24N2O — CID 103033160

IUPAC1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOC(C)(C)CCNc1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-14(2,17-5)10-11-15-12-6-8-13(9-7-12)16(3)4/h6-9,15H,10-11H2,1-5H3
InChIKeyXUTHZFAKZQKKAB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.98
Rot. Bonds6

About 1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 103033160) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID103033160
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOC(C)(C)CCNc1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-14(2,17-5)10-11-15-12-6-8-13(9-7-12)16(3)4/h6-9,15H,10-11H2,1-5H3
InChIKeyXUTHZFAKZQKKAB-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline
CID 106675367
4-[4-(dimethylamino)anilino]-2,2-dimethylbutanenitrile
CID 65248476
4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline
CID 103031134
4-butyl-N-(3-methoxy-3-methylbutyl)aniline
CID 103033140
tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
CID 115743334
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine
CID 83155630
4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide
CID 102975760
N-(3-methoxy-3-methylbutyl)thiophen-3-amine
CID 103033422
methyl 4-[4-(dimethylamino)anilino]butanoate
CID 43617051
1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103409400
N-ethyl-2-[4-[(3-methoxy-3-methylbutyl)amino]phenyl]acetamide
CID 102975694

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine (CID 103033160) is 1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine is COC(C)(C)CCNc1ccc(N(C)C)cc1.
What is the InChIKey of 1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is XUTHZFAKZQKKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,17-5)10-11-15-12-6-8-13(9-7-12)16(3)4/h6-9,15H,10-11H2,1-5H3.
What are the key properties of 1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 103033160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).