(1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine

C10H20N2 — CID 164821495

IUPAC(1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine
SMILESCC(C)N1C[C@@H]2CCC[C@H]1[C@H]2N
InChIInChI=1S/C10H20N2/c1-7(2)12-6-8-4-3-5-9(12)10(8)11/h7-10H,3-6,11H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyRHGNNNOVIGIRTN-GUBZILKMSA-N
MW168.28 g/mol
LogP1.21
Rot. Bonds1

About (1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine

(1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine (PubChem CID 164821495) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name(1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine
PubChem CID164821495
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine
SMILESCC(C)N1C[C@@H]2CCC[C@H]1[C@H]2N
InChIInChI=1S/C10H20N2/c1-7(2)12-6-8-4-3-5-9(12)10(8)11/h7-10H,3-6,11H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyRHGNNNOVIGIRTN-GUBZILKMSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-propan-2-yl-8-azabicyclo[5.2.0]nonane
CID 166687611
1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 67986230
(1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 98086940
1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 58339116
(1R,5R)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-amine
CID 98053858
2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid
CID 130693565
6-azabicyclo[3.2.0]heptan-6-amine
CID 77464035
8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane
CID 166695983
2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine
CID 130820042
7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane
CID 130694462
1-[(3S,3aS,6aR)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]propan-1-one
CID 163454206
(1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane
CID 164821497

Frequently Asked Questions

What is the IUPAC name of (1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of (1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine (CID 164821495) is (1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for (1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for (1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine is CC(C)N1C[C@@H]2CCC[C@H]1[C@H]2N.
What is the InChIKey of (1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is RHGNNNOVIGIRTN-GUBZILKMSA-N. The full InChI is InChI=1S/C10H20N2/c1-7(2)12-6-8-4-3-5-9(12)10(8)11/h7-10H,3-6,11H2,1-2H3/t8-,9-,10-/m0/s1.
What are the key properties of (1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine?
(1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 168.28 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 164821495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).