CID 156874487

C18H24BNO — CID 156874487

IUPAC—
SMILES[B]COc1ccc2c(c1)[C@]13CCCCC1[C@H](C2)N(C)CC3
InChIInChI=1S/C18H24BNO/c1-20-9-8-18-7-3-2-4-15(18)17(20)10-13-5-6-14(21-12-19)11-16(13)18/h5-6,11,15,17H,2-4,7-10,12H2,1H3/t15?,17-,18-/m0/s1
InChIKeyHSUJMAMTCNHGEK-BEEDKBRMSA-N
MW281.21 g/mol
LogP2.88
Rot. Bonds2

About CID 156874487

CID 156874487 (PubChem CID 156874487) has the molecular formula C18H24BNO and a molecular weight of 281.21 g/mol.

Molecular Properties

Compound NameCID 156874487
PubChem CID156874487
Molecular FormulaC18H24BNO
Molecular Weight281.21 g/mol
Exact Mass281.20
IUPAC Name—
SMILES[B]COc1ccc2c(c1)[C@]13CCCCC1[C@H](C2)N(C)CC3
InChIInChI=1S/C18H24BNO/c1-20-9-8-18-7-3-2-4-15(18)17(20)10-13-5-6-14(21-12-19)11-16(13)18/h5-6,11,15,17H,2-4,7-10,12H2,1H3/t15?,17-,18-/m0/s1
InChIKeyHSUJMAMTCNHGEK-BEEDKBRMSA-N
XLogP2.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1S,9R)-4-butoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 21458229
17-methyl-4-prop-2-enoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 23308363
(1S,10R)-4-(1,1-dideuterioethoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 88572586
(1R,9R,10R)-4-(cyclopropylmethoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrobromide
CID 24848690
4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 3008
(1R,9R,10S)-17-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 87119218
(1R,9S,10S)-17-methyl-4-(2,2,2-trifluoroethoxy)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 164702559
(1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 15934564
(1R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrobromide
CID 44537559
(1R,9R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride
CID 163369553
(1S,9S,10S)-4-(1,1-dideuterio-2,2,2-trifluoroethoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 175696604
trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane
CID 57362227

Frequently Asked Questions

What is the IUPAC name of CID 156874487?
The IUPAC name of CID 156874487 (CID 156874487) is not available.
What is the SMILES notation for CID 156874487?
The canonical SMILES for CID 156874487 is [B]COc1ccc2c(c1)[C@]13CCCCC1[C@H](C2)N(C)CC3.
What is the InChIKey of CID 156874487?
The InChIKey is HSUJMAMTCNHGEK-BEEDKBRMSA-N. The full InChI is InChI=1S/C18H24BNO/c1-20-9-8-18-7-3-2-4-15(18)17(20)10-13-5-6-14(21-12-19)11-16(13)18/h5-6,11,15,17H,2-4,7-10,12H2,1H3/t15?,17-,18-/m0/s1.
What are the key properties of CID 156874487?
CID 156874487 has a molecular weight of 281.21 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156874487 is sourced from PubChem (CID 156874487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).