N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine

C18H25N — CID 107126541

IUPACN-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)C1CCc2ccccc2C1
InChIInChI=1S/C18H25N/c1-2-19-18(15-8-4-5-9-15)17-12-11-14-7-3-6-10-16(14)13-17/h3,6-8,10,17-19H,2,4-5,9,11-13H2,1H3
InChIKeyCRAYJLGEPDZHEF-UHFFFAOYSA-N
MW255.41 g/mol
LogP3.88
Rot. Bonds4

About N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine

N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine (PubChem CID 107126541) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
PubChem CID107126541
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC NameN-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)C1CCc2ccccc2C1
InChIInChI=1S/C18H25N/c1-2-19-18(15-8-4-5-9-15)17-12-11-14-7-3-6-10-16(14)13-17/h3,6-8,10,17-19H,2,4-5,9,11-13H2,1H3
InChIKeyCRAYJLGEPDZHEF-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 106653336
N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 106653327
N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
CID 62079771
N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126566
N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126528
2-cyclobutyl-N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65458172
N-[(2,5-dimethylfuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126538
N-[(2-ethylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 65404205
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pent-4-yn-1-amine
CID 65404592
[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]hydrazine
CID 106649088
N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106654312
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine
CID 65405177

Frequently Asked Questions

What is the IUPAC name of N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine (CID 107126541) is N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine is CCNC(C1=CCCC1)C1CCc2ccccc2C1.
What is the InChIKey of N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine?
The InChIKey is CRAYJLGEPDZHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-2-19-18(15-8-4-5-9-15)17-12-11-14-7-3-6-10-16(14)13-17/h3,6-8,10,17-19H,2,4-5,9,11-13H2,1H3.
What are the key properties of N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine?
N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine has a molecular weight of 255.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine is sourced from PubChem (CID 107126541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).