(1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

C18H30N2O — CID 14396427

IUPAC(1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESCC(C)[C@@H]1[C@@H]2C[C@@H](CN3C(=O)CCC[C@H]23)[C@@H]2CCCCN12
InChIInChI=1S/C18H30N2O/c1-12(2)18-14-10-13(15-6-3-4-9-19(15)18)11-20-16(14)7-5-8-17(20)21/h12-16,18H,3-11H2,1-2H3/t13-,14+,15-,16+,18+/m0/s1
InChIKeyLEDOZABHJUUHKJ-IMSKVBIZSA-N
MW290.45 g/mol
LogP2.90
Rot. Bonds1

About (1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

(1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (PubChem CID 14396427) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.

Molecular Properties

Compound Name(1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
PubChem CID14396427
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESCC(C)[C@@H]1[C@@H]2C[C@@H](CN3C(=O)CCC[C@H]23)[C@@H]2CCCCN12
InChIInChI=1S/C18H30N2O/c1-12(2)18-14-10-13(15-6-3-4-9-19(15)18)11-20-16(14)7-5-8-17(20)21/h12-16,18H,3-11H2,1-2H3/t13-,14+,15-,16+,18+/m0/s1
InChIKeyLEDOZABHJUUHKJ-IMSKVBIZSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one with MolForge

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Related Compounds

(1R,2R,9S,10S)-16-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 56927844
16-trimethylsilyloxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 618801
(1R,2R,9R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 134715220
(1R,2R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 163184988
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 6101749
(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
CID 76970776
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
CID 72710652
(1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 157101765
(2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;perchloric acid
CID 171154156
(2R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 5271983
(1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 6350977
11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 76659535

Frequently Asked Questions

What is the IUPAC name of (1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The IUPAC name of (1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (CID 14396427) is (1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.
What is the SMILES notation for (1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The canonical SMILES for (1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is CC(C)[C@@H]1[C@@H]2C[C@@H](CN3C(=O)CCC[C@H]23)[C@@H]2CCCCN12.
What is the InChIKey of (1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The InChIKey is LEDOZABHJUUHKJ-IMSKVBIZSA-N. The full InChI is InChI=1S/C18H30N2O/c1-12(2)18-14-10-13(15-6-3-4-9-19(15)18)11-20-16(14)7-5-8-17(20)21/h12-16,18H,3-11H2,1-2H3/t13-,14+,15-,16+,18+/m0/s1.
What are the key properties of (1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
(1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one has a molecular weight of 290.45 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is sourced from PubChem (CID 14396427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).