2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine

C11H19N — CID 19037140

IUPAC2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine
SMILESCN(C)CC(C)(C)C1=CC=CC1
InChIInChI=1S/C11H19N/c1-11(2,9-12(3)4)10-7-5-6-8-10/h5-7H,8-9H2,1-4H3
InChIKeyVORBKCMZNOXDAD-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.46
Rot. Bonds3

About 2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine

2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine (PubChem CID 19037140) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine
PubChem CID19037140
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine
SMILESCN(C)CC(C)(C)C1=CC=CC1
InChIInChI=1S/C11H19N/c1-11(2,9-12(3)4)10-7-5-6-8-10/h5-7H,8-9H2,1-4H3
InChIKeyVORBKCMZNOXDAD-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine (CID 19037140) is 2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine is CN(C)CC(C)(C)C1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine?
The InChIKey is VORBKCMZNOXDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-11(2,9-12(3)4)10-7-5-6-8-10/h5-7H,8-9H2,1-4H3.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine?
2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 19037140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).