(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine

C13H21N — CID 134897947

IUPAC(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine
SMILESC/C(=C1/C=CC(C(C)(C)C)=C1)N(C)C
InChIInChI=1S/C13H21N/c1-10(14(5)6)11-7-8-12(9-11)13(2,3)4/h7-9H,1-6H3/b11-10+
InChIKeyBRYUDABDOAMSAP-ZHACJKMWSA-N
MW191.32 g/mol
LogP3.36
Rot. Bonds1

About (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine

(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine (PubChem CID 134897947) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine
PubChem CID134897947
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine
SMILESC/C(=C1/C=CC(C(C)(C)C)=C1)N(C)C
InChIInChI=1S/C13H21N/c1-10(14(5)6)11-7-8-12(9-11)13(2,3)4/h7-9H,1-6H3/b11-10+
InChIKeyBRYUDABDOAMSAP-ZHACJKMWSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine?
The IUPAC name of (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine (CID 134897947) is (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine.
What is the SMILES notation for (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine?
The canonical SMILES for (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine is C/C(=C1/C=CC(C(C)(C)C)=C1)N(C)C.
What is the InChIKey of (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine?
The InChIKey is BRYUDABDOAMSAP-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H21N/c1-10(14(5)6)11-7-8-12(9-11)13(2,3)4/h7-9H,1-6H3/b11-10+.
What are the key properties of (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine?
(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine has a molecular weight of 191.32 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine is sourced from PubChem (CID 134897947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).