(1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine

C13H23N — CID 89175118

IUPAC(1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCCC(C)C1=CC=C[C@H]1[C@@H](C)N(C)C
InChIInChI=1S/C13H23N/c1-6-10(2)12-8-7-9-13(12)11(3)14(4)5/h7-11,13H,6H2,1-5H3/t10?,11-,13+/m1/s1
InChIKeyNRBAHNDQDFQTDV-ZNVNOEFISA-N
MW193.33 g/mol
LogP3.10
Rot. Bonds4

About (1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine

(1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 89175118) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
PubChem CID89175118
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCCC(C)C1=CC=C[C@H]1[C@@H](C)N(C)C
InChIInChI=1S/C13H23N/c1-6-10(2)12-8-7-9-13(12)11(3)14(4)5/h7-11,13H,6H2,1-5H3/t10?,11-,13+/m1/s1
InChIKeyNRBAHNDQDFQTDV-ZNVNOEFISA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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 (1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of (1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (CID 89175118) is (1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for (1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for (1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is CCC(C)C1=CC=C[C@H]1[C@@H](C)N(C)C.
What is the InChIKey of (1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is NRBAHNDQDFQTDV-ZNVNOEFISA-N. The full InChI is InChI=1S/C13H23N/c1-6-10(2)12-8-7-9-13(12)11(3)14(4)5/h7-11,13H,6H2,1-5H3/t10?,11-,13+/m1/s1.
What are the key properties of (1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
(1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 193.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R)-2-butan-2-ylcyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 89175118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).