(1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane

C9H18N2 — CID 164821497

IUPAC(1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane
SMILESCC(C)N1C[C@@H]2CNCC[C@@H]21
InChIInChI=1S/C9H18N2/c1-7(2)11-6-8-5-10-4-3-9(8)11/h7-10H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyQUKYSFDKHBCFIT-IUCAKERBSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds1

About (1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane

(1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane (PubChem CID 164821497) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane
PubChem CID164821497
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane
SMILESCC(C)N1C[C@@H]2CNCC[C@@H]21
InChIInChI=1S/C9H18N2/c1-7(2)11-6-8-5-10-4-3-9(8)11/h7-10H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyQUKYSFDKHBCFIT-IUCAKERBSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83846794
8-propan-2-yl-8-azabicyclo[5.2.0]nonane
CID 166687611
4-(1-propan-2-ylpyrrolidin-2-yl)piperidine
CID 66273659
(4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
CID 166493348
(4aR,8aS)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
CID 166493668
2-cyclohexyl-1-propan-2-ylpiperazine
CID 64844464
4-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211470
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 82418150
7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane
CID 170230574
ethane;1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 158751144
(4aS,9aR)-7-propan-2-yl-2,3,4,4a,5,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one
CID 26742764
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane?
The IUPAC name of (1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane (CID 164821497) is (1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane.
What is the SMILES notation for (1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane?
The canonical SMILES for (1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane is CC(C)N1C[C@@H]2CNCC[C@@H]21.
What is the InChIKey of (1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane?
The InChIKey is QUKYSFDKHBCFIT-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11-6-8-5-10-4-3-9(8)11/h7-10H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane?
(1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane has a molecular weight of 154.26 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane is sourced from PubChem (CID 164821497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).