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

C18H33N — CID 23286762

IUPACN,N-dimethyl-1-(2,3,4-tripropylcyclopenta-1,3-dien-1-yl)ethanamine
SMILESCCCC1=C(CCC)C(CCC)=C(C(C)N(C)C)C1
InChIInChI=1S/C18H33N/c1-7-10-15-13-18(14(4)19(5)6)17(12-9-3)16(15)11-8-2/h14H,7-13H2,1-6H3
InChIKeyVEUYQXHJHLYLDU-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.33
Rot. Bonds8

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

N,N-dimethyl-1-(2,3,4-tripropylcyclopenta-1,3-dien-1-yl)ethanamine (PubChem CID 23286762) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N,N-dimethyl-1-(2,3,4-tripropylcyclopenta-1,3-dien-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,3,4-tripropylcyclopenta-1,3-dien-1-yl)ethanamine
PubChem CID23286762
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN,N-dimethyl-1-(2,3,4-tripropylcyclopenta-1,3-dien-1-yl)ethanamine
SMILESCCCC1=C(CCC)C(CCC)=C(C(C)N(C)C)C1
InChIInChI=1S/C18H33N/c1-7-10-15-13-18(14(4)19(5)6)17(12-9-3)16(15)11-8-2/h14H,7-13H2,1-6H3
InChIKeyVEUYQXHJHLYLDU-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-[2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-N1,N1,N2,N2-tetramethyl-propane-1,2-diamine
CID 362176
2,3,4,5-tetraethyl-N,N-dimethylcyclopenta-2,4-dien-1-amine
CID 102362227
N,N-dimethyl-2-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine
CID 18783352
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-tributylcyclopenta-1,3-dien-1-yl)ethanamine
CID 23295283
1-(4,5-dipentylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
CID 23295285
1-(4,5-dibutylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
CID 23295295
1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
CID 23295314
1-[2-[1-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 23295315
N,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine
CID 23297484
N,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 23297485
N,N-dimethyl-1-(2,3,4,5-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine
CID 23297489

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2,3,4-tripropylcyclopenta-1,3-dien-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-1-(2,3,4-tripropylcyclopenta-1,3-dien-1-yl)ethanamine (CID 23286762) is N,N-dimethyl-1-(2,3,4-tripropylcyclopenta-1,3-dien-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(2,3,4-tripropylcyclopenta-1,3-dien-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(2,3,4-tripropylcyclopenta-1,3-dien-1-yl)ethanamine is CCCC1=C(CCC)C(CCC)=C(C(C)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-(2,3,4-tripropylcyclopenta-1,3-dien-1-yl)ethanamine?
The InChIKey is VEUYQXHJHLYLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-7-10-15-13-18(14(4)19(5)6)17(12-9-3)16(15)11-8-2/h14H,7-13H2,1-6H3.
What are the key properties of N,N-dimethyl-1-(2,3,4-tripropylcyclopenta-1,3-dien-1-yl)ethanamine?
N,N-dimethyl-1-(2,3,4-tripropylcyclopenta-1,3-dien-1-yl)ethanamine has a molecular weight of 263.47 g/mol, XLogP of 5.33, 8 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-tripropylcyclopenta-1,3-dien-1-yl)ethanamine is sourced from PubChem (CID 23286762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).