N,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine

C17H31N — CID 18783378

IUPACN,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine
SMILESCCC1=C(CC)C(CCN(C)C)C(CC)=C1CC
InChIInChI=1S/C17H31N/c1-7-13-14(8-2)16(10-4)17(15(13)9-3)11-12-18(5)6/h17H,7-12H2,1-6H3
InChIKeyVKHZFODANANSMD-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.80
Rot. Bonds7

About N,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine

N,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine (PubChem CID 18783378) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine
PubChem CID18783378
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine
SMILESCCC1=C(CC)C(CCN(C)C)C(CC)=C1CC
InChIInChI=1S/C17H31N/c1-7-13-14(8-2)16(10-4)17(15(13)9-3)11-12-18(5)6/h17H,7-12H2,1-6H3
InChIKeyVKHZFODANANSMD-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine (CID 18783378) is N,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine is CCC1=C(CC)C(CCN(C)C)C(CC)=C1CC.
What is the InChIKey of N,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine?
The InChIKey is VKHZFODANANSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-7-13-14(8-2)16(10-4)17(15(13)9-3)11-12-18(5)6/h17H,7-12H2,1-6H3.
What are the key properties of N,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine?
N,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine has a molecular weight of 249.44 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 18783378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).