2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine

C18H21N — CID 106169984

IUPAC2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine
SMILESC1=C(CCNCc2ccc3ccccc3c2)CCC1
InChIInChI=1S/C18H21N/c1-2-6-15(5-1)11-12-19-14-16-9-10-17-7-3-4-8-18(17)13-16/h3-5,7-10,13,19H,1-2,6,11-12,14H2
InChIKeyAHEYMDLAXXAOMR-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.43
Rot. Bonds5

About 2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine

2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine (PubChem CID 106169984) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine
PubChem CID106169984
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine
SMILESC1=C(CCNCc2ccc3ccccc3c2)CCC1
InChIInChI=1S/C18H21N/c1-2-6-15(5-1)11-12-19-14-16-9-10-17-7-3-4-8-18(17)13-16/h3-5,7-10,13,19H,1-2,6,11-12,14H2
InChIKeyAHEYMDLAXXAOMR-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 106168823
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
2-(cyclohexen-1-yl)-N-[(3-methylphenyl)methyl]ethanamine chloride
CID 19627969
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-ylacetamide
CID 27666304
2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 17206520
2-(cyclopenten-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 103845245
2-[4-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 106169750
2-(cyclopenten-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 103845268
2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17210383
2-(cyclohexen-1-yl)-N-[(3-prop-2-ynoxyphenyl)methyl]ethanamine
CID 94074436

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine (CID 106169984) is 2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine is C1=C(CCNCc2ccc3ccccc3c2)CCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine?
The InChIKey is AHEYMDLAXXAOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-6-15(5-1)11-12-19-14-16-9-10-17-7-3-4-8-18(17)13-16/h3-5,7-10,13,19H,1-2,6,11-12,14H2.
What are the key properties of 2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine?
2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine is sourced from PubChem (CID 106169984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).