3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol

C17H26N2O — CID 81468062

IUPAC3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol
SMILESCC1CC(O)(C2(CN)CCc3ccccc3C2)CN1C
InChIInChI=1S/C17H26N2O/c1-13-9-17(20,12-19(13)2)16(11-18)8-7-14-5-3-4-6-15(14)10-16/h3-6,13,20H,7-12,18H2,1-2H3
InChIKeyPUKDIYVAINNZSQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.58
Rot. Bonds2

About 3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol

3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol (PubChem CID 81468062) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol
PubChem CID81468062
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol
SMILESCC1CC(O)(C2(CN)CCc3ccccc3C2)CN1C
InChIInChI=1S/C17H26N2O/c1-13-9-17(20,12-19(13)2)16(11-18)8-7-14-5-3-4-6-15(14)10-16/h3-6,13,20H,7-12,18H2,1-2H3
InChIKeyPUKDIYVAINNZSQ-UHFFFAOYSA-N
XLogP1.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol (CID 81468062) is 3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol is CC1CC(O)(C2(CN)CCc3ccccc3C2)CN1C.
What is the InChIKey of 3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol?
The InChIKey is PUKDIYVAINNZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-9-17(20,12-19(13)2)16(11-18)8-7-14-5-3-4-6-15(14)10-16/h3-6,13,20H,7-12,18H2,1-2H3.
What are the key properties of 3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol?
3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol has a molecular weight of 274.41 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 81468062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).