2,2-dimethylpropane;phenylmethanamine

C12H21N — CID 158787980

IUPAC2,2-dimethylpropane;phenylmethanamine
SMILESCC(C)(C)C.NCc1ccccc1
InChIInChI=1S/C7H9N.C5H12/c8-6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H,6,8H2;1-4H3
InChIKeyIRXOYAGYOSSUSK-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.20
Rot. Bonds1

About 2,2-dimethylpropane;phenylmethanamine

2,2-dimethylpropane;phenylmethanamine (PubChem CID 158787980) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,2-dimethylpropane;phenylmethanamine.

Molecular Properties

Compound Name2,2-dimethylpropane;phenylmethanamine
PubChem CID158787980
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,2-dimethylpropane;phenylmethanamine
SMILESCC(C)(C)C.NCc1ccccc1
InChIInChI=1S/C7H9N.C5H12/c8-6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H,6,8H2;1-4H3
InChIKeyIRXOYAGYOSSUSK-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

phenylmethanamine
CID 19864074
ethane;phenylmethanamine;vanadium
CID 158602574
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;dodecahydrobromide
CID 175510511
phenylmethanamine;titanium(2+)
CID 21287655
sodium phenylmethanamine
CID 172793696
carbon dioxide;phenylmethanamine
CID 123245363
CID 174688914
CID 174688914
phenylmethanamine;2-phenylpropan-2-amine;hydrochloride
CID 174901598
phenylmethanamine;tetramethylazanium;hydroxide
CID 174471017
difluoromethane;phenylmethanamine
CID 156875485
oxygen(2-);phenylmethanamine;vanadium;hydroxide
CID 11715324

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;phenylmethanamine?
The IUPAC name of 2,2-dimethylpropane;phenylmethanamine (CID 158787980) is 2,2-dimethylpropane;phenylmethanamine.
What is the SMILES notation for 2,2-dimethylpropane;phenylmethanamine?
The canonical SMILES for 2,2-dimethylpropane;phenylmethanamine is CC(C)(C)C.NCc1ccccc1.
What is the InChIKey of 2,2-dimethylpropane;phenylmethanamine?
The InChIKey is IRXOYAGYOSSUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C5H12/c8-6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H,6,8H2;1-4H3.
What are the key properties of 2,2-dimethylpropane;phenylmethanamine?
2,2-dimethylpropane;phenylmethanamine has a molecular weight of 179.31 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;phenylmethanamine is sourced from PubChem (CID 158787980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).