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

C41H79N — CID 23297489

IUPACN,N-dimethyl-1-(2,3,4,5-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine
SMILESCCCCCCCCC1=C(CCCCCCCC)C(C(C)N(C)C)C(CCCCCCCC)=C1CCCCCCCC
InChIInChI=1S/C41H79N/c1-8-12-16-20-24-28-32-37-38(33-29-25-21-17-13-9-2)40(35-31-27-23-19-15-11-4)41(36(5)42(6)7)39(37)34-30-26-22-18-14-10-3/h36,41H,8-35H2,1-7H3
InChIKeyGSINYZDZSNLMGM-UHFFFAOYSA-N
MW586.09 g/mol
LogP14.16
Rot. Bonds30

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

N,N-dimethyl-1-(2,3,4,5-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine (PubChem CID 23297489) has the molecular formula C41H79N and a molecular weight of 586.09 g/mol. Its IUPAC name is N,N-dimethyl-1-(2,3,4,5-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,3,4,5-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine
PubChem CID23297489
Molecular FormulaC41H79N
Molecular Weight586.09 g/mol
Exact Mass585.62
IUPAC NameN,N-dimethyl-1-(2,3,4,5-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine
SMILESCCCCCCCCC1=C(CCCCCCCC)C(C(C)N(C)C)C(CCCCCCCC)=C1CCCCCCCC
InChIInChI=1S/C41H79N/c1-8-12-16-20-24-28-32-37-38(33-29-25-21-17-13-9-2)40(35-31-27-23-19-15-11-4)41(36(5)42(6)7)39(37)34-30-26-22-18-14-10-3/h36,41H,8-35H2,1-7H3
InChIKeyGSINYZDZSNLMGM-UHFFFAOYSA-N
XLogP14.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.09
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(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-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
N-butyl-N-[2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethyl]butan-1-amine
CID 23295278
N,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
CID 23295280
N,N-dimethyl-1-(2,3,4-tributylcyclopenta-1,3-dien-1-yl)ethanamine
CID 23295283
N,N-dimethyl-2-[2,3,4-tri(pentan-3-yl)cyclopenta-1,3-dien-1-yl]ethanamine
CID 23295288
N,N-dimethyl-1-(2,3,4-tricyclohexylcyclopenta-1,3-dien-1-yl)ethanamine
CID 23295302
2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 23295305

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2,3,4,5-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-1-(2,3,4,5-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine (CID 23297489) is N,N-dimethyl-1-(2,3,4,5-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(2,3,4,5-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(2,3,4,5-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine is CCCCCCCCC1=C(CCCCCCCC)C(C(C)N(C)C)C(CCCCCCCC)=C1CCCCCCCC.
What is the InChIKey of N,N-dimethyl-1-(2,3,4,5-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine?
The InChIKey is GSINYZDZSNLMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H79N/c1-8-12-16-20-24-28-32-37-38(33-29-25-21-17-13-9-2)40(35-31-27-23-19-15-11-4)41(36(5)42(6)7)39(37)34-30-26-22-18-14-10-3/h36,41H,8-35H2,1-7H3.
What are the key properties of N,N-dimethyl-1-(2,3,4,5-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine?
N,N-dimethyl-1-(2,3,4,5-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine has a molecular weight of 586.09 g/mol, XLogP of 14.16, 30 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-tetraoctylcyclopenta-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 23297489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).