N-(3,3-dimethylbutan-2-yl)-N-methylaniline

C13H21N — CID 134941806

IUPACN-(3,3-dimethylbutan-2-yl)-N-methylaniline
SMILESCC(N(C)c1ccccc1)C(C)(C)C
InChIInChI=1S/C13H21N/c1-11(13(2,3)4)14(5)12-9-7-6-8-10-12/h6-11H,1-5H3
InChIKeyQRLDFFWAONDIEY-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.56
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-N-methylaniline

N-(3,3-dimethylbutan-2-yl)-N-methylaniline (PubChem CID 134941806) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methylaniline.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methylaniline
PubChem CID134941806
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methylaniline
SMILESCC(N(C)c1ccccc1)C(C)(C)C
InChIInChI=1S/C13H21N/c1-11(13(2,3)4)14(5)12-9-7-6-8-10-12/h6-11H,1-5H3
InChIKeyQRLDFFWAONDIEY-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methylaniline (CID 134941806) is N-(3,3-dimethylbutan-2-yl)-N-methylaniline.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methylaniline is CC(N(C)c1ccccc1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The InChIKey is QRLDFFWAONDIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-11(13(2,3)4)14(5)12-9-7-6-8-10-12/h6-11H,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
N-(3,3-dimethylbutan-2-yl)-N-methylaniline has a molecular weight of 191.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methylaniline is sourced from PubChem (CID 134941806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).