2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol

C16H24N2O — CID 117405533

IUPAC2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCN1CC(CN)CC1c1ccc2c(c1O)CCCC2
InChIInChI=1S/C16H24N2O/c1-18-10-11(9-17)8-15(18)14-7-6-12-4-2-3-5-13(12)16(14)19/h6-7,11,15,19H,2-5,8-10,17H2,1H3
InChIKeyKQYGUFUPBQZQQF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.22
Rot. Bonds2

About 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol

2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 117405533) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID117405533
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCN1CC(CN)CC1c1ccc2c(c1O)CCCC2
InChIInChI=1S/C16H24N2O/c1-18-10-11(9-17)8-15(18)14-7-6-12-4-2-3-5-13(12)16(14)19/h6-7,11,15,19H,2-5,8-10,17H2,1H3
InChIKeyKQYGUFUPBQZQQF-UHFFFAOYSA-N
XLogP2.22
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 117405533) is 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol is CN1CC(CN)CC1c1ccc2c(c1O)CCCC2.
What is the InChIKey of 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is KQYGUFUPBQZQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-10-11(9-17)8-15(18)14-7-6-12-4-2-3-5-13(12)16(14)19/h6-7,11,15,19H,2-5,8-10,17H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol?
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 117405533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).