N-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine

C19H21NO — CID 62311521

IUPACN-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine
SMILESCC#CCOc1c(C(C)NC2CC2)ccc2ccccc12
InChIInChI=1S/C19H21NO/c1-3-4-13-21-19-17(14(2)20-16-10-11-16)12-9-15-7-5-6-8-18(15)19/h5-9,12,14,16,20H,10-11,13H2,1-2H3
InChIKeyAIEQMOCFMXRQPL-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.05
Rot. Bonds5

About N-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine

N-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine (PubChem CID 62311521) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine
PubChem CID62311521
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine
SMILESCC#CCOc1c(C(C)NC2CC2)ccc2ccccc12
InChIInChI=1S/C19H21NO/c1-3-4-13-21-19-17(14(2)20-16-10-11-16)12-9-15-7-5-6-8-18(15)19/h5-9,12,14,16,20H,10-11,13H2,1-2H3
InChIKeyAIEQMOCFMXRQPL-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine (CID 62311521) is N-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine is CC#CCOc1c(C(C)NC2CC2)ccc2ccccc12.
What is the InChIKey of N-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine?
The InChIKey is AIEQMOCFMXRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-4-13-21-19-17(14(2)20-16-10-11-16)12-9-15-7-5-6-8-18(15)19/h5-9,12,14,16,20H,10-11,13H2,1-2H3.
What are the key properties of N-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine?
N-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine has a molecular weight of 279.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 62311521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).