5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one

C19H29NO — CID 123635917

IUPAC5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one
SMILES[H]/N=C1/C=C2CCC3CCCC(=O)C(C)CCC3C2(C)CC1
InChIInChI=1S/C19H29NO/c1-13-6-9-17-14(4-3-5-18(13)21)7-8-15-12-16(20)10-11-19(15,17)2/h12-14,17,20H,3-11H2,1-2H3/b20-16+
InChIKeyZNNPGTYQLRQQOF-CAPFRKAQSA-N
MW287.45 g/mol
LogP4.93
Rot. Bonds

About 5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one

5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one (PubChem CID 123635917) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one.

Molecular Properties

Compound Name5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one
PubChem CID123635917
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one
SMILES[H]/N=C1/C=C2CCC3CCCC(=O)C(C)CCC3C2(C)CC1
InChIInChI=1S/C19H29NO/c1-13-6-9-17-14(4-3-5-18(13)21)7-8-15-12-16(20)10-11-19(15,17)2/h12-14,17,20H,3-11H2,1-2H3/b20-16+
InChIKeyZNNPGTYQLRQQOF-CAPFRKAQSA-N
XLogP4.93
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one with MolForge

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Related Compounds

(8R,9S,10R,13S,14S)-4-imino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
CID 90838626
(8R,9S,10R,13S,14S)-2-fluoro-4-imino-6,10,13-trimethyl-5,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
CID 57241358
(16R)-16-fluoro-3-imino-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
CID 68057597
(10R,13S)-16-fluoro-3-imino-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
CID 68057619
(10R,13S)-16-fluoro-3-imino-10,13-dimethyl-6-methylidene-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
CID 68058017
(10R,13S)-16-fluoro-3-imino-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
CID 89903507
(10R,13S)-16-fluoro-3,6-diimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
CID 89903526
(8S,10S,13S,14S,17S)-17-acetyl-4-imino-10,13-dimethyl-2,5,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 57006860
(8R,9S,10R,13S,14S)-4-imino-6,10,13-trimethyl-1,2,5,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
CID 57008587
(7S,8R,9S,10R,13S,14S)-4-imino-1,7,10,13-tetramethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydro-5H-cyclopenta[a]phenanthrene-3,17-dione
CID 57025727
(8R,9S,10R,13S,14S)-7-but-1-ynyl-4-imino-10,13-dimethyl-1,2,5,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
CID 57067766
(8R,9S,10R,13S,14S)-4-imino-1,10,13-trimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydro-5H-cyclopenta[a]phenanthrene-3,17-dione
CID 57069537

Frequently Asked Questions

What is the IUPAC name of 5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one?
The IUPAC name of 5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one (CID 123635917) is 5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one.
What is the SMILES notation for 5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one?
The canonical SMILES for 5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one is [H]/N=C1/C=C2CCC3CCCC(=O)C(C)CCC3C2(C)CC1.
What is the InChIKey of 5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one?
The InChIKey is ZNNPGTYQLRQQOF-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H29NO/c1-13-6-9-17-14(4-3-5-18(13)21)7-8-15-12-16(20)10-11-19(15,17)2/h12-14,17,20H,3-11H2,1-2H3/b20-16+.
What are the key properties of 5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one?
5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one has a molecular weight of 287.45 g/mol, XLogP of 4.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one is sourced from PubChem (CID 123635917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).