4-(2-amino-3-methylbutyl)-N,N-dimethylaniline

C13H22N2 — CID 115347408

IUPAC4-(2-amino-3-methylbutyl)-N,N-dimethylaniline
SMILESCC(C)C(N)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C13H22N2/c1-10(2)13(14)9-11-5-7-12(8-6-11)15(3)4/h5-8,10,13H,9,14H2,1-4H3
InChIKeyITJJMVVIJBMUTM-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.28
Rot. Bonds4

About 4-(2-amino-3-methylbutyl)-N,N-dimethylaniline

4-(2-amino-3-methylbutyl)-N,N-dimethylaniline (PubChem CID 115347408) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(2-amino-3-methylbutyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2-amino-3-methylbutyl)-N,N-dimethylaniline
PubChem CID115347408
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-(2-amino-3-methylbutyl)-N,N-dimethylaniline
SMILESCC(C)C(N)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C13H22N2/c1-10(2)13(14)9-11-5-7-12(8-6-11)15(3)4/h5-8,10,13H,9,14H2,1-4H3
InChIKeyITJJMVVIJBMUTM-UHFFFAOYSA-N
XLogP2.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline
CID 89225584
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
2-[[4-(dimethylamino)phenyl]methyl]propanedioic acid
CID 15120645
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid
CID 55154057
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
CID 79013489
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane
CID 142883586
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide
CID 20684753

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-methylbutyl)-N,N-dimethylaniline?
The IUPAC name of 4-(2-amino-3-methylbutyl)-N,N-dimethylaniline (CID 115347408) is 4-(2-amino-3-methylbutyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2-amino-3-methylbutyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2-amino-3-methylbutyl)-N,N-dimethylaniline is CC(C)C(N)Cc1ccc(N(C)C)cc1.
What is the InChIKey of 4-(2-amino-3-methylbutyl)-N,N-dimethylaniline?
The InChIKey is ITJJMVVIJBMUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)13(14)9-11-5-7-12(8-6-11)15(3)4/h5-8,10,13H,9,14H2,1-4H3.
What are the key properties of 4-(2-amino-3-methylbutyl)-N,N-dimethylaniline?
4-(2-amino-3-methylbutyl)-N,N-dimethylaniline has a molecular weight of 206.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-methylbutyl)-N,N-dimethylaniline is sourced from PubChem (CID 115347408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).