(1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane

C11H22N2 — CID 97178647

IUPAC(1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCCCN1C[C@@H]2CNC[C@@H](C2)[C@@H]1C
InChIInChI=1S/C11H22N2/c1-3-4-13-8-10-5-11(9(13)2)7-12-6-10/h9-12H,3-8H2,1-2H3/t9-,10-,11+/m0/s1
InChIKeyUOUKNEXDABNVPK-GARJFASQSA-N
MW182.31 g/mol
LogP1.33
Rot. Bonds2

About (1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane

(1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 97178647) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane
PubChem CID97178647
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCCCN1C[C@@H]2CNC[C@@H](C2)[C@@H]1C
InChIInChI=1S/C11H22N2/c1-3-4-13-8-10-5-11(9(13)2)7-12-6-10/h9-12H,3-8H2,1-2H3/t9-,10-,11+/m0/s1
InChIKeyUOUKNEXDABNVPK-GARJFASQSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 99961668
4-methyl-5-octyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210882
(5S)-3-ethylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
CID 163809174
tert-butyl (1S,2R,5S)-2-methyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 129374850
5-methyl-1-propylimidazolidine
CID 154216085
(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine
CID 95241605
(1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane
CID 146942444
2-propyl-2-azabicyclo[2.2.2]octane
CID 15173898
(2S,6R)-2,6-dimethyl-1-propylpiperazine;hydrochloride
CID 130710519
4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-1-ol
CID 66209592
4-methyl-5-(4,4,4-trifluorobutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115514940
(1S,2R,5R)-2-methyl-7-pentyl-3,7-diazabicyclo[3.3.1]nonane
CID 124746802

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of (1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane (CID 97178647) is (1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane is CCCN1C[C@@H]2CNC[C@@H](C2)[C@@H]1C.
What is the InChIKey of (1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is UOUKNEXDABNVPK-GARJFASQSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-4-13-8-10-5-11(9(13)2)7-12-6-10/h9-12H,3-8H2,1-2H3/t9-,10-,11+/m0/s1.
What are the key properties of (1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane?
(1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 182.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 97178647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).