2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine

C17H26N2O — CID 114466151

IUPAC2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESC=C(C)COCCNC1(CN)CCc2ccccc2C1
InChIInChI=1S/C17H26N2O/c1-14(2)12-20-10-9-19-17(13-18)8-7-15-5-3-4-6-16(15)11-17/h3-6,19H,1,7-13,18H2,2H3
InChIKeyBWJVJQBYRUPGHO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.06
Rot. Bonds7

About 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine

2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 114466151) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID114466151
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESC=C(C)COCCNC1(CN)CCc2ccccc2C1
InChIInChI=1S/C17H26N2O/c1-14(2)12-20-10-9-19-17(13-18)8-7-15-5-3-4-6-16(15)11-17/h3-6,19H,1,7-13,18H2,2H3
InChIKeyBWJVJQBYRUPGHO-UHFFFAOYSA-N
XLogP2.06
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine (CID 114466151) is 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine is C=C(C)COCCNC1(CN)CCc2ccccc2C1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is BWJVJQBYRUPGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(2)12-20-10-9-19-17(13-18)8-7-15-5-3-4-6-16(15)11-17/h3-6,19H,1,7-13,18H2,2H3.
What are the key properties of 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 274.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 114466151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).