3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride

C12H21ClN2O — CID 119635654

IUPAC3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride
SMILESCC1(C(=O)N2CCC3CCC(C2)N3)CC1.Cl
InChIInChI=1S/C12H20N2O.ClH/c1-12(5-6-12)11(15)14-7-4-9-2-3-10(8-14)13-9;/h9-10,13H,2-8H2,1H3;1H
InChIKeyDHHPIQCSKIEPBW-UHFFFAOYSA-N
MW244.77 g/mol
LogP1.56
Rot. Bonds1

About 3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride

3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride (PubChem CID 119635654) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride.

Molecular Properties

Compound Name3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride
PubChem CID119635654
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride
SMILESCC1(C(=O)N2CCC3CCC(C2)N3)CC1.Cl
InChIInChI=1S/C12H20N2O.ClH/c1-12(5-6-12)11(15)14-7-4-9-2-3-10(8-14)13-9;/h9-10,13H,2-8H2,1H3;1H
InChIKeyDHHPIQCSKIEPBW-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
CID 130162770
(1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 166001479
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119638368
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-methylsulfanylpropan-1-one;hydrochloride
CID 119635041
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,2-dimethylcyclohexyl)methanone
CID 107181027
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone
CID 119638958
[1-(4-chlorophenyl)cyclopropyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119636111
[(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 107217447
(4-aminopiperidin-1-yl)-(1-methylcyclopropyl)methanone;hydrochloride
CID 166001469
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119635994
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 110027381
(1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426217

Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride?
The IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride (CID 119635654) is 3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride.
What is the SMILES notation for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride?
The canonical SMILES for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride is CC1(C(=O)N2CCC3CCC(C2)N3)CC1.Cl.
What is the InChIKey of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride?
The InChIKey is DHHPIQCSKIEPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.ClH/c1-12(5-6-12)11(15)14-7-4-9-2-3-10(8-14)13-9;/h9-10,13H,2-8H2,1H3;1H.
What are the key properties of 3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride?
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride has a molecular weight of 244.77 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride is sourced from PubChem (CID 119635654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).