N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine

C16H21N — CID 19033357

IUPACN-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)C(C1=CCC=C1)c1ccccc1
InChIInChI=1S/C16H21N/c1-3-17(4-2)16(15-12-8-9-13-15)14-10-6-5-7-11-14/h5-8,10-13,16H,3-4,9H2,1-2H3
InChIKeyDEZIPFMITXUWOG-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.96
Rot. Bonds5

About N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine

N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine (PubChem CID 19033357) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine
PubChem CID19033357
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)C(C1=CCC=C1)c1ccccc1
InChIInChI=1S/C16H21N/c1-3-17(4-2)16(15-12-8-9-13-15)14-10-6-5-7-11-14/h5-8,10-13,16H,3-4,9H2,1-2H3
InChIKeyDEZIPFMITXUWOG-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane
CID 135850349
1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene
CID 22555819
2-[benzhydryl(ethyl)amino]ethanol
CID 131843300
2-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]cyclohepta-1,3,5-triene;propane
CID 142964914
(1R)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12024248
1-[(2S)-2-cyclopenta-1,4-dien-1-yl-1-(3,5-dimethylpyrazol-1-yl)-2-phenylethyl]-3,5-dimethylpyrazole
CID 139110995
1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane
CID 156726896
(1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol
CID 12024246
N-(1-cyclohexa-1,5-dien-1-ylethoxy)-N,2-dimethyl-1-phenylpropan-1-amine;methane
CID 159779840
cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane
CID 143019202
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655

Frequently Asked Questions

What is the IUPAC name of N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine (CID 19033357) is N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine is CCN(CC)C(C1=CCC=C1)c1ccccc1.
What is the InChIKey of N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine?
The InChIKey is DEZIPFMITXUWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-3-17(4-2)16(15-12-8-9-13-15)14-10-6-5-7-11-14/h5-8,10-13,16H,3-4,9H2,1-2H3.
What are the key properties of N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine?
N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine has a molecular weight of 227.35 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 19033357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).