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

C12H24N2 — CID 129373109

IUPAC(1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane
SMILESCC(C)CN1C[C@@H]2CN[C@H](C)[C@@H](C2)C1
InChIInChI=1S/C12H24N2/c1-9(2)6-14-7-11-4-12(8-14)10(3)13-5-11/h9-13H,4-8H2,1-3H3/t10-,11+,12+/m1/s1
InChIKeyCHDBWJFKGWEJPG-WOPDTQHZSA-N
MW196.34 g/mol
LogP1.57
Rot. Bonds2

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

(1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 129373109) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane
PubChem CID129373109
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane
SMILESCC(C)CN1C[C@@H]2CN[C@H](C)[C@@H](C2)C1
InChIInChI=1S/C12H24N2/c1-9(2)6-14-7-11-4-12(8-14)10(3)13-5-11/h9-13H,4-8H2,1-3H3/t10-,11+,12+/m1/s1
InChIKeyCHDBWJFKGWEJPG-WOPDTQHZSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane
CID 102547992
(1S,2R,5R)-2-methyl-7-pentyl-3,7-diazabicyclo[3.3.1]nonane
CID 124746802
3-cyclopropyl-1-(2-methylpropyl)azetidine
CID 126994705
3,5-dimethyl-1-(2-methylpropyl)piperidine
CID 20562086
4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane
CID 166643898
(2S,6S)-1,2,6-trimethyl-4-(2-methylpropyl)piperazine
CID 171515774
5-methyl-1-(2-methylpropyl)piperidin-3-ol
CID 128552520
2-methyl-1-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 58912894
2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide
CID 130621097
3-isocyano-1-(2-methylpropyl)azetidine
CID 158704531
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine
CID 139318530
(2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine
CID 122669524

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of (1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane (CID 129373109) is (1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for (1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for (1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane is CC(C)CN1C[C@@H]2CN[C@H](C)[C@@H](C2)C1.
What is the InChIKey of (1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is CHDBWJFKGWEJPG-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(2)6-14-7-11-4-12(8-14)10(3)13-5-11/h9-13H,4-8H2,1-3H3/t10-,11+,12+/m1/s1.
What are the key properties of (1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane?
(1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 196.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 129373109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).