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

C12H19N — CID 85325123

IUPAC1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
SMILESCN(C)C=C1C=CC(C(C)(C)C)=C1
InChIInChI=1S/C12H19N/c1-12(2,3)11-7-6-10(8-11)9-13(4)5/h6-9H,1-5H3
InChIKeySJJWADICKUAIEP-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.97
Rot. Bonds1

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

1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine (PubChem CID 85325123) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
PubChem CID85325123
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
SMILESCN(C)C=C1C=CC(C(C)(C)C)=C1
InChIInChI=1S/C12H19N/c1-12(2,3)11-7-6-10(8-11)9-13(4)5/h6-9H,1-5H3
InChIKeySJJWADICKUAIEP-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(Dimethylamino)fulvene
CID 136523
(E)-6-[2-(dimethylamino)ethenyl]-fulvene
CID 13280603
1,4-Di-t-butylpyridine
CID 66942442
5-tert-butyl-6-fluoro-1-methyl-2H-pyridine
CID 91405121
(1Z)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
CID 12471621
1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine
CID 13280633
2-Propenyl-pentadienyl-dimethylamin
CID 129649470
(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine
CID 134897947
(E)-6-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylhex-1-en-1-amine
CID 134944969
1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylmethanamine fluoride
CID 139243611
(1Z)-1-cyclohexa-2,4-dien-1-ylidene-N,N-dimethylmethanamine
CID 164673616
N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-ethylethanamine
CID 12618097

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine (CID 85325123) is 1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine is CN(C)C=C1C=CC(C(C)(C)C)=C1.
What is the InChIKey of 1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine?
The InChIKey is SJJWADICKUAIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-12(2,3)11-7-6-10(8-11)9-13(4)5/h6-9H,1-5H3.
What are the key properties of 1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine?
1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine is sourced from PubChem (CID 85325123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).