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

C11H17N — CID 67558127

IUPAC(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine
SMILESC/C(N)=C1/C=CC(C(C)(C)C)=C1
InChIInChI=1S/C11H17N/c1-8(12)9-5-6-10(7-9)11(2,3)4/h5-7H,12H2,1-4H3/b9-8+
InChIKeyKUTFUWGESGXYJW-CMDGGOBGSA-N
MW163.26 g/mol
LogP2.76
Rot. Bonds

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

(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine (PubChem CID 67558127) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine.

Molecular Properties

Compound Name(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine
PubChem CID67558127
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine
SMILESC/C(N)=C1/C=CC(C(C)(C)C)=C1
InChIInChI=1S/C11H17N/c1-8(12)9-5-6-10(7-9)11(2,3)4/h5-7H,12H2,1-4H3/b9-8+
InChIKeyKUTFUWGESGXYJW-CMDGGOBGSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Amino-6-methylfulvene
CID 572231
(2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine
CID 138495027
(3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine
CID 146377667
(3E,5Z,7Z)-4-fluoro-6-propan-2-ylnona-3,5,7-trien-3-amine
CID 169855946
(Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine
CID 15339509
2-Prop-2-enylcyclopenta-1,3-dien-1-amine
CID 20202249
2-Methylcyclopenta-1,3-dien-1-amine
CID 20202259
2-Propylcyclopenta-1,3-dien-1-amine
CID 20202310
2-Methylcyclopenta-1,4-dien-1-amine
CID 21523796
2-Ethylcyclopenta-1,3-dien-1-amine
CID 67050856
1-(3-Tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine
CID 67558131
3,3-Dimethylcyclohexa-1,5-dien-1-amine
CID 68378504

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine?
The IUPAC name of (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine (CID 67558127) is (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine.
What is the SMILES notation for (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine?
The canonical SMILES for (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine is C/C(N)=C1/C=CC(C(C)(C)C)=C1.
What is the InChIKey of (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine?
The InChIKey is KUTFUWGESGXYJW-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H17N/c1-8(12)9-5-6-10(7-9)11(2,3)4/h5-7H,12H2,1-4H3/b9-8+.
What are the key properties of (1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine?
(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine has a molecular weight of 163.26 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 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)ethanamine is sourced from PubChem (CID 67558127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).