(3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride

C16H29ClN2O — CID 119670140

IUPAC(3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride
SMILESCC1(C)CC2CC(C)(CN2C(=O)C2(C)CCNC2)C1.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-14(2)7-12-8-15(3,9-14)11-18(12)13(19)16(4)5-6-17-10-16;/h12,17H,5-11H2,1-4H3;1H
InChIKeyQXRHWTBASZMQQV-UHFFFAOYSA-N
MW300.87 g/mol
LogP2.84
Rot. Bonds1

About (3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride

(3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride (PubChem CID 119670140) has the molecular formula C16H29ClN2O and a molecular weight of 300.87 g/mol. Its IUPAC name is (3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride
PubChem CID119670140
Molecular FormulaC16H29ClN2O
Molecular Weight300.87 g/mol
Exact Mass300.20
IUPAC Name(3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride
SMILESCC1(C)CC2CC(C)(CN2C(=O)C2(C)CCNC2)C1.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-14(2)7-12-8-15(3,9-14)11-18(12)13(19)16(4)5-6-17-10-16;/h12,17H,5-11H2,1-4H3;1H
InChIKeyQXRHWTBASZMQQV-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.87
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride?
The IUPAC name of (3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride (CID 119670140) is (3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride.
What is the SMILES notation for (3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride?
The canonical SMILES for (3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride is CC1(C)CC2CC(C)(CN2C(=O)C2(C)CCNC2)C1.Cl.
What is the InChIKey of (3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride?
The InChIKey is QXRHWTBASZMQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O.ClH/c1-14(2)7-12-8-15(3,9-14)11-18(12)13(19)16(4)5-6-17-10-16;/h12,17H,5-11H2,1-4H3;1H.
What are the key properties of (3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride?
(3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride has a molecular weight of 300.87 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride is sourced from PubChem (CID 119670140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).