4-(1-amino-3,3-dimethylbutyl)aniline

C12H20N2 — CID 130042000

IUPAC4-(1-amino-3,3-dimethylbutyl)aniline
SMILESCC(C)(C)CC(N)c1ccc(N)cc1
InChIInChI=1S/C12H20N2/c1-12(2,3)8-11(14)9-4-6-10(13)7-5-9/h4-7,11H,8,13-14H2,1-3H3
InChIKeyZZYVFRJAMJGYHS-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.70
Rot. Bonds2

About 4-(1-amino-3,3-dimethylbutyl)aniline

4-(1-amino-3,3-dimethylbutyl)aniline (PubChem CID 130042000) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-(1-amino-3,3-dimethylbutyl)aniline.

Molecular Properties

Compound Name4-(1-amino-3,3-dimethylbutyl)aniline
PubChem CID130042000
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-(1-amino-3,3-dimethylbutyl)aniline
SMILESCC(C)(C)CC(N)c1ccc(N)cc1
InChIInChI=1S/C12H20N2/c1-12(2,3)8-11(14)9-4-6-10(13)7-5-9/h4-7,11H,8,13-14H2,1-3H3
InChIKeyZZYVFRJAMJGYHS-UHFFFAOYSA-N
XLogP2.70
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine
CID 43184844
3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;hydrochloride
CID 86263009
1-(4-butan-2-ylphenyl)-3,3-dimethylbutan-1-amine
CID 43103849
4-(1-amino-2,2-dimethylpropyl)aniline
CID 70658463
4-[(1S)-1-aminobutyl]aniline;dihydrochloride
CID 53484663
1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
CID 43379716
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine
CID 116525828
4-(1-aminooctyl)aniline
CID 137458153
1-(4-chlorophenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934580
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,3-dimethylbutan-1-amine
CID 43197406
3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 81231464

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3,3-dimethylbutyl)aniline?
The IUPAC name of 4-(1-amino-3,3-dimethylbutyl)aniline (CID 130042000) is 4-(1-amino-3,3-dimethylbutyl)aniline.
What is the SMILES notation for 4-(1-amino-3,3-dimethylbutyl)aniline?
The canonical SMILES for 4-(1-amino-3,3-dimethylbutyl)aniline is CC(C)(C)CC(N)c1ccc(N)cc1.
What is the InChIKey of 4-(1-amino-3,3-dimethylbutyl)aniline?
The InChIKey is ZZYVFRJAMJGYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,3)8-11(14)9-4-6-10(13)7-5-9/h4-7,11H,8,13-14H2,1-3H3.
What are the key properties of 4-(1-amino-3,3-dimethylbutyl)aniline?
4-(1-amino-3,3-dimethylbutyl)aniline has a molecular weight of 192.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3,3-dimethylbutyl)aniline is sourced from PubChem (CID 130042000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).