4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine

C13H22N2 — CID 93225665

IUPAC4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine
SMILESCC[C@H](C)CNc1ccc(N(C)C)cc1
InChIInChI=1S/C13H22N2/c1-5-11(2)10-14-12-6-8-13(9-7-12)15(3)4/h6-9,11,14H,5,10H2,1-4H3/t11-/m0/s1
InChIKeyHFUKDWNBEZITFF-NSHDSACASA-N
MW206.33 g/mol
LogP3.21
Rot. Bonds5

About 4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine (PubChem CID 93225665) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine
PubChem CID93225665
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine
SMILESCC[C@H](C)CNc1ccc(N(C)C)cc1
InChIInChI=1S/C13H22N2/c1-5-11(2)10-14-12-6-8-13(9-7-12)15(3)4/h6-9,11,14H,5,10H2,1-4H3/t11-/m0/s1
InChIKeyHFUKDWNBEZITFF-NSHDSACASA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[4-(dimethylamino)anilino]propan-2-ol
CID 93345471
4-bromo-N-(2-methylbutyl)aniline
CID 43201294
1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 21430110
N-(2-methylbutyl)pyridin-4-amine
CID 62693960
4-(2-chloroethyl)-N-(2-methylbutyl)aniline
CID 65024050
2-[4-(2-methylbutylamino)phenyl]ethanol
CID 61238762
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43732150
4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine
CID 83155630
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
4-(difluoromethylsulfonyl)-N-(2-methylbutyl)aniline
CID 43683861
2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide
CID 60685338

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine (CID 93225665) is 4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine is CC[C@H](C)CNc1ccc(N(C)C)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine?
The InChIKey is HFUKDWNBEZITFF-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2/c1-5-11(2)10-14-12-6-8-13(9-7-12)15(3)4/h6-9,11,14H,5,10H2,1-4H3/t11-/m0/s1.
What are the key properties of 4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine has a molecular weight of 206.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine is sourced from PubChem (CID 93225665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).