N-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide

C13H22N2O — CID 167257816

IUPACN-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide
SMILESCCC(=O)N[C@H]1C2C[C@@H]3CN(C(C)C)[C@H]1[C@H]23
InChIInChI=1S/C13H22N2O/c1-4-10(16)14-12-9-5-8-6-15(7(2)3)13(12)11(8)9/h7-9,11-13H,4-6H2,1-3H3,(H,14,16)/t8-,9?,11+,12+,13+/m1/s1
InChIKeyCBLPVPZTVUUKBH-MBIXASIUSA-N
MW222.33 g/mol
LogP1.24
Rot. Bonds3

About N-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide

N-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide (PubChem CID 167257816) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide
PubChem CID167257816
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide
SMILESCCC(=O)N[C@H]1C2C[C@@H]3CN(C(C)C)[C@H]1[C@H]23
InChIInChI=1S/C13H22N2O/c1-4-10(16)14-12-9-5-8-6-15(7(2)3)13(12)11(8)9/h7-9,11-13H,4-6H2,1-3H3,(H,14,16)/t8-,9?,11+,12+,13+/m1/s1
InChIKeyCBLPVPZTVUUKBH-MBIXASIUSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 126658236
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N-(3,4-dihydroxycyclopentyl)propanamide
CID 170769048
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
N-(2-adamantyl)-4-hydroxypentanamide
CID 79200321
N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide
CID 146427409
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 177191821
N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
CID 153399051
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
(1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine
CID 172546338

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide?
The IUPAC name of N-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide (CID 167257816) is N-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide.
What is the SMILES notation for N-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide?
The canonical SMILES for N-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide is CCC(=O)N[C@H]1C2C[C@@H]3CN(C(C)C)[C@H]1[C@H]23.
What is the InChIKey of N-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide?
The InChIKey is CBLPVPZTVUUKBH-MBIXASIUSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-10(16)14-12-9-5-8-6-15(7(2)3)13(12)11(8)9/h7-9,11-13H,4-6H2,1-3H3,(H,14,16)/t8-,9?,11+,12+,13+/m1/s1.
What are the key properties of N-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide?
N-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide has a molecular weight of 222.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide is sourced from PubChem (CID 167257816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).