propylbenzene;N,N,2-trimethylpropan-2-amine

C15H27N — CID 91496276

IUPACpropylbenzene;N,N,2-trimethylpropan-2-amine
SMILESCCCc1ccccc1.CN(C)C(C)(C)C
InChIInChI=1S/C9H12.C6H15N/c1-2-6-9-7-4-3-5-8-9;1-6(2,3)7(4)5/h3-5,7-8H,2,6H2,1H3;1-5H3
InChIKeyYNXPURKQWSJWHA-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.99
Rot. Bonds2

About propylbenzene;N,N,2-trimethylpropan-2-amine

propylbenzene;N,N,2-trimethylpropan-2-amine (PubChem CID 91496276) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is propylbenzene;N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Namepropylbenzene;N,N,2-trimethylpropan-2-amine
PubChem CID91496276
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Namepropylbenzene;N,N,2-trimethylpropan-2-amine
SMILESCCCc1ccccc1.CN(C)C(C)(C)C
InChIInChI=1S/C9H12.C6H15N/c1-2-6-9-7-4-3-5-8-9;1-6(2,3)7(4)5/h3-5,7-8H,2,6H2,1H3;1-5H3
InChIKeyYNXPURKQWSJWHA-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propylbenzene;N,N,2-trimethylpropan-2-amine?
The IUPAC name of propylbenzene;N,N,2-trimethylpropan-2-amine (CID 91496276) is propylbenzene;N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for propylbenzene;N,N,2-trimethylpropan-2-amine?
The canonical SMILES for propylbenzene;N,N,2-trimethylpropan-2-amine is CCCc1ccccc1.CN(C)C(C)(C)C.
What is the InChIKey of propylbenzene;N,N,2-trimethylpropan-2-amine?
The InChIKey is YNXPURKQWSJWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C6H15N/c1-2-6-9-7-4-3-5-8-9;1-6(2,3)7(4)5/h3-5,7-8H,2,6H2,1H3;1-5H3.
What are the key properties of propylbenzene;N,N,2-trimethylpropan-2-amine?
propylbenzene;N,N,2-trimethylpropan-2-amine has a molecular weight of 221.39 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propylbenzene;N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 91496276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).