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

C17H31N — CID 23297485

IUPACN,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine
SMILESCCC1=C(CC)C(C(C)N(C)C)C(CC)=C1CC
InChIInChI=1S/C17H31N/c1-8-13-14(9-2)16(11-4)17(15(13)10-3)12(5)18(6)7/h12,17H,8-11H2,1-7H3
InChIKeyNEFXTQPTTZTYFT-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.80
Rot. Bonds6

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

N,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine (PubChem CID 23297485) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine
PubChem CID23297485
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine
SMILESCCC1=C(CC)C(C(C)N(C)C)C(CC)=C1CC
InChIInChI=1S/C17H31N/c1-8-13-14(9-2)16(11-4)17(15(13)10-3)12(5)18(6)7/h12,17H,8-11H2,1-7H3
InChIKeyNEFXTQPTTZTYFT-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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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Related Compounds

(1-(2-(N,N-dimethylamino)ethyl)-2,3,4,5-tetramethylcyclopentadien-5-yl)trimethylstannane
CID 129687175
CID 135082320
CID 135082320
N,N-dimethyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethanamine
CID 11008786
N,N-dimethyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 11084732
(Dimethylaminoethyl)tri(2-propyl)cyclopentadiene
CID 15501724
N,N-dimethyl-2-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine
CID 18783352
(Dimethylaminoethyl)tetraethylcyclopentadiene
CID 18783378
N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)propan-1-amine
CID 19608987
N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 19608993
1-[1-(2,3,4,5-Tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine
CID 19608995
N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine
CID 22443858
N,N-dimethyl-1-(2,3,4-tripropylcyclopenta-1,3-dien-1-yl)ethanamine
CID 23286762

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine (CID 23297485) is N,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine is CCC1=C(CC)C(C(C)N(C)C)C(CC)=C1CC.
What is the InChIKey of N,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine?
The InChIKey is NEFXTQPTTZTYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-8-13-14(9-2)16(11-4)17(15(13)10-3)12(5)18(6)7/h12,17H,8-11H2,1-7H3.
What are the key properties of N,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine?
N,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine has a molecular weight of 249.44 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 23297485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).