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

C13H23N — CID 19033390

IUPAC2-cyclopenta-1,3-dien-1-yl-N,N,3,3-tetramethylbutan-1-amine
SMILESCN(C)CC(C1=CC=CC1)C(C)(C)C
InChIInChI=1S/C13H23N/c1-13(2,3)12(10-14(4)5)11-8-6-7-9-11/h6-8,12H,9-10H2,1-5H3
InChIKeyGLNAJODJQYNJGC-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.10
Rot. Bonds3

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

2-cyclopenta-1,3-dien-1-yl-N,N,3,3-tetramethylbutan-1-amine (PubChem CID 19033390) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-N,N,3,3-tetramethylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-N,N,3,3-tetramethylbutan-1-amine
PubChem CID19033390
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-cyclopenta-1,3-dien-1-yl-N,N,3,3-tetramethylbutan-1-amine
SMILESCN(C)CC(C1=CC=CC1)C(C)(C)C
InChIInChI=1S/C13H23N/c1-13(2,3)12(10-14(4)5)11-8-6-7-9-11/h6-8,12H,9-10H2,1-5H3
InChIKeyGLNAJODJQYNJGC-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.10
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,3,3-tetramethylbutan-1-amine?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-N,N,3,3-tetramethylbutan-1-amine (CID 19033390) is 2-cyclopenta-1,3-dien-1-yl-N,N,3,3-tetramethylbutan-1-amine.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-N,N,3,3-tetramethylbutan-1-amine?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-N,N,3,3-tetramethylbutan-1-amine is CN(C)CC(C1=CC=CC1)C(C)(C)C.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-N,N,3,3-tetramethylbutan-1-amine?
The InChIKey is GLNAJODJQYNJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-13(2,3)12(10-14(4)5)11-8-6-7-9-11/h6-8,12H,9-10H2,1-5H3.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-N,N,3,3-tetramethylbutan-1-amine?
2-cyclopenta-1,3-dien-1-yl-N,N,3,3-tetramethylbutan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.10, 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,3,3-tetramethylbutan-1-amine is sourced from PubChem (CID 19033390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).