2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid

C17H19NO2 — CID 115221686

IUPAC2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CNCCc1cccc2ccccc12
InChIInChI=1S/C17H19NO2/c19-17(20)16-10-14(16)11-18-9-8-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,16,18H,8-11H2,(H,19,20)
InChIKeyYGAALVPKIIJNOV-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.69
Rot. Bonds6

About 2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid

2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221686) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115221686
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CNCCc1cccc2ccccc12
InChIInChI=1S/C17H19NO2/c19-17(20)16-10-14(16)11-18-9-8-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,16,18H,8-11H2,(H,19,20)
InChIKeyYGAALVPKIIJNOV-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine
CID 115214333
2-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221646
4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid
CID 122031153
2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221637
(2-naphthalen-1-ylethylamino)methanol
CID 115229403
2-(cyclopropylmethylamino)-N-(2-naphthalen-1-ylethyl)acetamide
CID 119722516
2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 115209720
2-(cyclopropylmethylamino)-N-(2-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119722515
N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine
CID 87606018
1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone
CID 61055472
2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83930573
3-amino-N-(2-naphthalen-1-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722507

Frequently Asked Questions

What is the IUPAC name of 2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid (CID 115221686) is 2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1CNCCc1cccc2ccccc12.
What is the InChIKey of 2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is YGAALVPKIIJNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(20)16-10-14(16)11-18-9-8-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,16,18H,8-11H2,(H,19,20).
What are the key properties of 2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid?
2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).