N-benzyl-N-propan-2-ylpropan-2-amine

C13H21N — CID 4578032

IUPACN-benzyl-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C13H21N/c1-11(2)14(12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyGOTQULLXGZGQMK-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.31
Rot. Bonds4

About N-benzyl-N-propan-2-ylpropan-2-amine

N-benzyl-N-propan-2-ylpropan-2-amine (PubChem CID 4578032) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-benzyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-propan-2-ylpropan-2-amine
PubChem CID4578032
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-benzyl-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C13H21N/c1-11(2)14(12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyGOTQULLXGZGQMK-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-benzyl-N-propan-2-ylpropan-2-amine (CID 4578032) is N-benzyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-benzyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-benzyl-N-propan-2-ylpropan-2-amine is CC(C)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-N-propan-2-ylpropan-2-amine?
The InChIKey is GOTQULLXGZGQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-11(2)14(12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3.
What are the key properties of N-benzyl-N-propan-2-ylpropan-2-amine?
N-benzyl-N-propan-2-ylpropan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 4578032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).