5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine

C15H24N2 — CID 105422256

IUPAC5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCCN(CC)c1ccc2c(c1)CCCC2CN
InChIInChI=1S/C15H24N2/c1-3-17(4-2)14-8-9-15-12(10-14)6-5-7-13(15)11-16/h8-10,13H,3-7,11,16H2,1-2H3
InChIKeyAMRSCEIFWUHVIF-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.91
Rot. Bonds4

About 5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine

5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 105422256) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID105422256
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCCN(CC)c1ccc2c(c1)CCCC2CN
InChIInChI=1S/C15H24N2/c1-3-17(4-2)14-8-9-15-12(10-14)6-5-7-13(15)11-16/h8-10,13H,3-7,11,16H2,1-2H3
InChIKeyAMRSCEIFWUHVIF-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine (CID 105422256) is 5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine is CCN(CC)c1ccc2c(c1)CCCC2CN.
What is the InChIKey of 5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is AMRSCEIFWUHVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-17(4-2)14-8-9-15-12(10-14)6-5-7-13(15)11-16/h8-10,13H,3-7,11,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 232.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 105422256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).