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

C24H45N — CID 67568152

IUPACN,N-dimethyl-1-(2,3,4-tripentylcyclopenta-1,3-dien-1-yl)ethanamine
SMILESCCCCCC1=C(CCCCC)C(CCCCC)=C(C(C)N(C)C)C1
InChIInChI=1S/C24H45N/c1-7-10-13-16-21-19-24(20(4)25(5)6)23(18-15-12-9-3)22(21)17-14-11-8-2/h20H,7-19H2,1-6H3
InChIKeyIOILWRBKUFOCJR-UHFFFAOYSA-N
MW347.63 g/mol
LogP7.67
Rot. Bonds14

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

N,N-dimethyl-1-(2,3,4-tripentylcyclopenta-1,3-dien-1-yl)ethanamine (PubChem CID 67568152) has the molecular formula C24H45N and a molecular weight of 347.63 g/mol. Its IUPAC name is N,N-dimethyl-1-(2,3,4-tripentylcyclopenta-1,3-dien-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,3,4-tripentylcyclopenta-1,3-dien-1-yl)ethanamine
PubChem CID67568152
Molecular FormulaC24H45N
Molecular Weight347.63 g/mol
Exact Mass347.36
IUPAC NameN,N-dimethyl-1-(2,3,4-tripentylcyclopenta-1,3-dien-1-yl)ethanamine
SMILESCCCCCC1=C(CCCCC)C(CCCCC)=C(C(C)N(C)C)C1
InChIInChI=1S/C24H45N/c1-7-10-13-16-21-19-24(20(4)25(5)6)23(18-15-12-9-3)22(21)17-14-11-8-2/h20H,7-19H2,1-6H3
InChIKeyIOILWRBKUFOCJR-UHFFFAOYSA-N
XLogP7.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 57.67
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

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-tripropylcyclopenta-1,3-dien-1-yl)ethanamine
CID 23286762
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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2,3,4-tripentylcyclopenta-1,3-dien-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-1-(2,3,4-tripentylcyclopenta-1,3-dien-1-yl)ethanamine (CID 67568152) is N,N-dimethyl-1-(2,3,4-tripentylcyclopenta-1,3-dien-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(2,3,4-tripentylcyclopenta-1,3-dien-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(2,3,4-tripentylcyclopenta-1,3-dien-1-yl)ethanamine is CCCCCC1=C(CCCCC)C(CCCCC)=C(C(C)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-(2,3,4-tripentylcyclopenta-1,3-dien-1-yl)ethanamine?
The InChIKey is IOILWRBKUFOCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N/c1-7-10-13-16-21-19-24(20(4)25(5)6)23(18-15-12-9-3)22(21)17-14-11-8-2/h20H,7-19H2,1-6H3.
What are the key properties of N,N-dimethyl-1-(2,3,4-tripentylcyclopenta-1,3-dien-1-yl)ethanamine?
N,N-dimethyl-1-(2,3,4-tripentylcyclopenta-1,3-dien-1-yl)ethanamine has a molecular weight of 347.63 g/mol, XLogP of 7.67, 14 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-tripentylcyclopenta-1,3-dien-1-yl)ethanamine is sourced from PubChem (CID 67568152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).